Geometry & MOs

Info

ID:	61395
PubChem CID:	26708826
Reduced:	FSO2N4H17C22 (1)
Stoich.:	ABC2D4E17F22 (1)
Weight, g/mol:	450.175499
ΔH_f, kcal/mol:	17.97
Dipole, Da:	9.2
IP(EA), eV:	-8.77(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2F)C(=O)N=C3N(C=CS3)CC4=CC=CC=C4

DOS

IR

Vibrations