Geometry & MOs

Info

ID:	337537
PubChem CID:	127258160
Reduced:	NSO4C14H19 (1)
Stoich.:	ABC4D14E19 (1)
Weight, g/mol:	311.119129
ΔH_f, kcal/mol:	-172.48
Dipole, Da:	7.93
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[tert-butyl(phenylmethoxycarbonyl)amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=CC=CC=C1)[C@@H](CS)C(=O)O

DOS

IR

Vibrations