Geometry & MOs

Info

ID:	186437
PubChem CID:	77432391
Reduced:	ION3C24H34 (1)
Stoich.:	ABC3D24E34 (1)
Weight, g/mol:	471.219178
ΔH_f, kcal/mol:	13.88
Dipole, Da:	4.16
IP(EA), eV:	-8.77(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-1-(4-tert-butylphenyl)sulfonyl-N-[(4-methylphenyl)methyl]piperazine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=CN=C(CC1CC1)N2CCN(CC2)C(=O)C3=CC=C(C=C3)I)CC

DOS

IR

Vibrations