Geometry & MOs

Info

ID:	55371
PubChem CID:	17395301
Reduced:	FO2N3C21H26 (1)
Stoich.:	AB2C3D21E26 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-77.6
Dipole, Da:	4.34
IP(EA), eV:	-8.34(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(benzenesulfonyl)-N-(2-phenylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)CCCNC(=O)C3=CC=CC=C3F

DOS

IR

Vibrations