Geometry & MOs

Info

ID:	152944
PubChem CID:	56312040
Reduced:	SO4N5C25H31 (1)
Stoich.:	AB4C5D25E31 (1)
Weight, g/mol:	422.231791
ΔH_f, kcal/mol:	-109.72
Dipole, Da:	10.23
IP(EA), eV:	-9.34(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[[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(=CC=C3)S(=O)(=O)NC4=NCCC4

DOS

IR

Vibrations