Geometry & MOs

Info

ID:	77460
PubChem CID:	49635668
Reduced:	SN2O4C18H24 (1)
Stoich.:	AB2C4D18E24 (1)
Weight, g/mol:	375.142819
ΔH_f, kcal/mol:	-120.1
Dipole, Da:	4.82
IP(EA), eV:	-8.37(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2,6-difluorophenyl)propan-2-yl]-4-ethylsulfonylpiperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)CCNC(=O)N(CCO)CC2=CSC=C2

DOS

IR

Vibrations