Geometry & MOs

Info

ID:	346786
PubChem CID:	127271290
Reduced:	SO3N4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-102.33
Dipole, Da:	9.36
IP(EA), eV:	-8.69(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N(C)CC2=NC(=O)C3=C(N2)C=CS3

DOS

IR

Vibrations