Geometry & MOs

Info

ID:	152235
PubChem CID:	56311122
Reduced:	SO2N4C23H26 (1)
Stoich.:	AB2C4D23E26 (1)
Weight, g/mol:	436.247441
ΔH_f, kcal/mol:	-20.59
Dipole, Da:	2.69
IP(EA), eV:	-9.08(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2,4-dimethylphenyl)carbamoyl]-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations