Geometry & MOs

Info

ID:	62300
PubChem CID:	26719073
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	357.136493
ΔH_f, kcal/mol:	23.02
Dipole, Da:	9.08
IP(EA), eV:	-8.48(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-methyl-1-oxo-N,3-diphenyl-3,4-dihydroisochromene-6-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=NOC(=C2)C)C)/C=C/C(=O)NC3=CC=CC=C3

DOS

IR

Vibrations