Geometry & MOs

Info

ID:	77447
PubChem CID:	49635598
Reduced:	FO2N4C21H23 (1)
Stoich.:	AB2C4D21E23 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-50.7
Dipole, Da:	6.49
IP(EA), eV:	-9.04(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-(cyclopropylcarbamoyl)phenyl]methyl]-4-ethylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=CN1CCNC(=O)NC(COC2=CC=CC=C2F)C3=CC=CC=C3

DOS

IR

Vibrations