Geometry & MOs

Info

ID:	346796
PubChem CID:	127271300
Reduced:	FO3N4C20H29 (1)
Stoich.:	AB3C4D20E29 (1)
Weight, g/mol:	399.162806
ΔH_f, kcal/mol:	-175.23
Dipole, Da:	5.77
IP(EA), eV:	-8.92(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-fluorophenyl)sulfonyl-N-[1-(oxolan-2-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations