Geometry & MOs

Info

ID:	138544
PubChem CID:	52383246
Reduced:	NSO3C19H24 (1)
Stoich.:	ABC3D19E24 (1)
Weight, g/mol:	398.163043
ΔH_f, kcal/mol:	-46.57
Dipole, Da:	6.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.853600
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-[2-[(2,6-dimethylphenyl)carbamoyl]phenyl]-3-oxo-1,2-dihydroindene-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C[NH+](CC=C)CC2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations