Geometry & MOs

Info

ID:	367935
PubChem CID:	127326109
Reduced:	N2S2O3C18H26 (1)
Stoich.:	A2B2C3D18E26 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-112.19
Dipole, Da:	4.44
IP(EA), eV:	-8.7(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-3-[[2-[4-(4-methylcyclohexyl)piperazin-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CCN(C1CCS(=O)(=O)C1)C(=O)CN2CCSCC2C3=CC=CC=C3

DOS

IR

Vibrations