Geometry & MOs

Info

ID:	77457
PubChem CID:	49635653
Reduced:	FSN2O2C19H25 (1)
Stoich.:	ABC2D2E19F25 (1)
Weight, g/mol:	385.183541
ΔH_f, kcal/mol:	-111.21
Dipole, Da:	2.9
IP(EA), eV:	-9.11(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethylsulfonyl-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC=C(C=C1)F)NC(=O)N(CCO)CC2=CSC=C2

DOS

IR

Vibrations