Geometry & MOs

Info

ID:	63797
PubChem CID:	26759207
Reduced:	NSCl2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	377.085242
ΔH_f, kcal/mol:	-105.93
Dipole, Da:	1.97
IP(EA), eV:	-9.05(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)[C@@H](C)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations