Geometry & MOs

Info

ID:	395237
PubChem CID:	135024991
Reduced:	N3O8C11H15 (1)
Stoich.:	A3B8C11D15 (1)
Weight, g/mol:	581.263819
ΔH_f, kcal/mol:	-332.69
Dipole, Da:	4.87
IP(EA), eV:	-10.3(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide

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

C1=CN(C(=O)NC1=O)[C@H]2C(C([C@H](O2)[C@H]([C@@H](C(=O)O)N)O)O)O

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

C1=CN(C(=O)NC1=O)[C@H]2C(C([C@H](O2)[C@H]([C@@H](C(=O)O)N)O)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):