Geometry & MOs

Info

ID:	137594
PubChem CID:	52231156
Reduced:	SN2O3C19H28 (1)
Stoich.:	AB2C3D19E28 (1)
Weight, g/mol:	390.134635
ΔH_f, kcal/mol:	-130.36
Dipole, Da:	3.12
IP(EA), eV:	-8.45(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-[(2S)-1-(2,5-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CSCC(=O)NC2CCCCCCC2

DOS

IR

Vibrations