Geometry & MOs

Info

ID:	165373
PubChem CID:	74541393
Reduced:	SN3O4C19H25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	394.189257
ΔH_f, kcal/mol:	-159.35
Dipole, Da:	6.78
IP(EA), eV:	-8.98(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-methoxy-4-propan-2-yloxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1CC(C(=O)NC1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations