Geometry & MOs

Info

ID:	152466
PubChem CID:	56311398
Reduced:	SN3O4C21H31 (1)
Stoich.:	AB3C4D21E31 (1)
Weight, g/mol:	414.263091
ΔH_f, kcal/mol:	-167.37
Dipole, Da:	11.89
IP(EA), eV:	-9.16(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-methylcyclohexyl)carbamoyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN2CCN(CC2)C(=O)CC3=CC=CC=C3C

DOS

IR

Vibrations