Geometry & MOs

Info

ID:	334325
PubChem CID:	127252877
Reduced:	SN4O6C38H44 (1)
Stoich.:	AB4C6D38E44 (1)
Weight, g/mol:	369.132471
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	8.35
IP(EA), eV:	-8.23(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,9R)-11-(4-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)NCC1=CC(=CC=C1)C2=NC(=CS2)C)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations