Geometry & MOs

Info

ID:	63764
PubChem CID:	26759140
Reduced:	ClNSO3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	377.085242
ΔH_f, kcal/mol:	-108.97
Dipole, Da:	5.12
IP(EA), eV:	-8.5(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations