Geometry & MOs

Info

ID:	388041
PubChem CID:	134987935
Reduced:	NO2C9H17 (1)
Stoich.:	AB2C9D17 (1)
Weight, g/mol:	282.044106
ΔH_f, kcal/mol:	-121.39
Dipole, Da:	6.14
IP(EA), eV:	-9.75(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-acetamido-3-[2-chloro-3-(methylamino)-3-oxopropyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(CCCC(=O)C)NC(=O)C

DOS

IR

Vibrations