Geometry & MOs

Info

ID:	339899
PubChem CID:	127261908
Reduced:	NO3C15H27 (1)
Stoich.:	AB3C15D27 (1)
Weight, g/mol:	323.155515
ΔH_f, kcal/mol:	-170.27
Dipole, Da:	4.68
IP(EA), eV:	-10.04(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-[[(2R)-4-phenyl-2-(sulfanylmethyl)butanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC/C=C(\C)/C(=O)N[C@@H](CC(C)C)C(=O)O

DOS

IR

Vibrations