Geometry & MOs

Info

ID:	334242
PubChem CID:	127252794
Reduced:	N3O5H17C24 (1)
Stoich.:	A3B5C17D24 (1)
Weight, g/mol:	494.180149
ΔH_f, kcal/mol:	-50.45
Dipole, Da:	4.79
IP(EA), eV:	-8.4(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[2-(7,8-dimethoxy-2-oxo-1H-3-benzazepin-3-yl)acetyl]-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)NC(=O)C5=CN=CC=C5)OC

DOS

IR

Vibrations