Geometry & MOs

Info

ID:	62947
PubChem CID:	26737753
Reduced:	O3N4H20C21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	384.089226
ΔH_f, kcal/mol:	36.62
Dipole, Da:	8.02
IP(EA), eV:	-9.07(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(2-methyl-3-nitrophenyl)-2-oxo-6-thia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),4,8-triene-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)/C=C/C2=C(N(N=C2C)C3=CC=CC=C3)C

DOS

IR

Vibrations