Geometry & MOs

Info

ID:	36800
PubChem CID:	8012888
Reduced:	NO3C10H10 (2)
Stoich.:	AB3C10D10 (2)
Weight, g/mol:	384.010219
ΔH_f, kcal/mol:	-194.73
Dipole, Da:	3.1
IP(EA), eV:	-9.2(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CNC(=O)COC(=O)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations