Geometry & MOs

Info

ID:	339900
PubChem CID:	127261909
Reduced:	NSO3C17H25 (1)
Stoich.:	ABC3D17E25 (1)
Weight, g/mol:	323.155515
ΔH_f, kcal/mol:	-145.14
Dipole, Da:	7.07
IP(EA), eV:	-9.1(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)O)NC(=O)[C@@H](CCC1=CC=CC=C1)CS

DOS

IR

Vibrations