Geometry & MOs

Info

ID:	135754
PubChem CID:	51928365
Reduced:	SN2O3C17H22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	360.12407
ΔH_f, kcal/mol:	-93.59
Dipole, Da:	4.72
IP(EA), eV:	-8.75(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(2-chlorophenyl)-2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]acetate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C1=CC=CS1)NC(=O)NC2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations