Geometry & MOs

Info

ID:	339868
PubChem CID:	127261877
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	207.056529
ΔH_f, kcal/mol:	-175.98
Dipole, Da:	8.53
IP(EA), eV:	-9.03(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-[(2R)-2-amino-2-carboxyethyl]sulfanyl-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)[C@H](CO)SC[C@@H](C(=O)O)NC(=O)C

DOS

IR

Vibrations