Geometry & MOs

Info

ID:	339866
PubChem CID:	127261875
Reduced:	NSO4C13H21 (1)
Stoich.:	ABC4D13E21 (1)
Weight, g/mol:	296.050064
ΔH_f, kcal/mol:	-180.84
Dipole, Da:	7.72
IP(EA), eV:	-9.15(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-[[(2R)-2-acetamido-2-carboxyethyl]sulfanylmethylsulfanyl]-2-aminopropanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)/C=C/SC[C@@H](C(=O)O)NC(=O)C

DOS

IR

Vibrations