Geometry & MOs

Info

ID:	394189
PubChem CID:	135022503
Reduced:	NO6H17C20 (1)
Stoich.:	AB6C17D20 (1)
Weight, g/mol:	549.305015
ΔH_f, kcal/mol:	-107.2
Dipole, Da:	5.32
IP(EA), eV:	-9.85(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,10R,12S,13S,15R)-15-(dihydroxymethyl)-10-[[4-(dimethylamino)-3-hydroxy-3,5-dimethylcyclohexyl]oxymethyl]-12-hydroxy-7-methoxy-6-methyl-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),6-diene-5,8-dione

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1[C@H]([C@H](C2(C(=O)C3=CC=CC=C3C2=O)OC1O)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@@H]1[C@H]([C@H](C2(C(=O)C3=CC=CC=C3C2=O)OC1O)[N+](=O)[O-])C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):