Geometry & MOs

Info

ID:	63795
PubChem CID:	26759204
Reduced:	NSCl2O4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	397.03062
ΔH_f, kcal/mol:	-147.68
Dipole, Da:	5.95
IP(EA), eV:	-8.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(5-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)OC)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations