Geometry & MOs

Info

ID:	63775
PubChem CID:	26759166
Reduced:	ClNSO4C20H22 (1)
Stoich.:	ABCD4E20F22 (1)
Weight, g/mol:	384.010219
ΔH_f, kcal/mol:	-139.63
Dipole, Da:	4.26
IP(EA), eV:	-8.65(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-chloropyridin-3-yl)amino]-1-oxopropan-2-yl] 2-chloro-5-methylsulfanylbenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=CC=C(C=C1)OC)OC(=O)C2=C(C=CC(=C2)SC)Cl

DOS

IR

Vibrations