Geometry & MOs

Info

ID:	74890
PubChem CID:	48422651
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	388.126835
ΔH_f, kcal/mol:	-54.42
Dipole, Da:	4.0
IP(EA), eV:	-8.48(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(2,5-difluorophenyl)sulfonylpiperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)SC)OCC2CC2

DOS

IR

Vibrations