Geometry & MOs

Info

ID:	152146
PubChem CID:	56311013
Reduced:	SN4O4C25H34 (1)
Stoich.:	AB4C4D25E34 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-143.79
Dipole, Da:	4.05
IP(EA), eV:	-9.36(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)S(=O)(=O)N(C)C(C)C

DOS

IR

Vibrations