Geometry & MOs

Info

ID:	334249
PubChem CID:	127252801
Reduced:	N3O4C24H31 (1)
Stoich.:	A3B4C24D31 (1)
Weight, g/mol:	451.13795
ΔH_f, kcal/mol:	-142.29
Dipole, Da:	5.44
IP(EA), eV:	-8.12(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9R)-11-[2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetyl]-5-nitro-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)N2C[C@H]3C[C@@H](C2)C4=CC=CC(=O)N4C3

DOS

IR

Vibrations