Geometry & MOs

Info

ID:	46889
PubChem CID:	10528161
Reduced:	O2N7H23C26 (1)
Stoich.:	A2B7C23D26 (1)
Weight, g/mol:	465.215138
ΔH_f, kcal/mol:	119.67
Dipole, Da:	4.99
IP(EA), eV:	-8.73(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,9S,10R,12S)-14-benzyl-12-hydroxy-4,5-dimethoxy-13-oxo-14-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-12-carboxylate

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=CC=C(C=C1)COC2=CC=C(C=C2)CCCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6

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=CC=C(C=C1)COC2=CC=C(C=C2)CCCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):