Geometry & MOs

Info

ID:	63771
PubChem CID:	26759157
Reduced:	ClNSO3C15H20 (1)
Stoich.:	ABCD3E15F20 (1)
Weight, g/mol:	397.03062
ΔH_f, kcal/mol:	-141.13
Dipole, Da:	7.35
IP(EA), eV:	-8.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations