Geometry & MOs

Info

ID:	243233
PubChem CID:	99217451
Reduced:	ClN3O3C24H28 (1)
Stoich.:	AB3C3D24E28 (1)
Weight, g/mol:	442.189257
ΔH_f, kcal/mol:	-46.61
Dipole, Da:	5.31
IP(EA), eV:	-9.31(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[2-[benzyl(ethyl)amino]-2-oxoethyl]-1-oxo-3-phenyl-3,4-dihydroisochromene-6-carboxamide

Drug info:

PubChemData

Smile

CCN(CC1=CC=CC=C1)C(=O)CNC(=O)C2CCN(CC2)C(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations