Geometry & MOs

Info

ID:	334986
PubChem CID:	127253792
Reduced:	N4O8C35H40 (1)
Stoich.:	A4B8C35D40 (1)
Weight, g/mol:	369.132471
ΔH_f, kcal/mol:	-243.27
Dipole, Da:	6.7
IP(EA), eV:	-8.47(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S)-11-(2-methoxybenzoyl)-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCC(=O)N2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations