Geometry & MOs

Info

ID:	334394
PubChem CID:	127252946
Reduced:	N3O6C29H29 (1)
Stoich.:	A3B6C29D29 (1)
Weight, g/mol:	370.164105
ΔH_f, kcal/mol:	-188.36
Dipole, Da:	9.74
IP(EA), eV:	-9.2(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NC4=CC5=C(C=C4)N=C(N5)CC(C)C)/C3=O)O2)C)C(=O)C)O

DOS

IR

Vibrations