Geometry & MOs

Info

ID:	12254
PubChem CID:	133576
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	309.139865
ΔH_f, kcal/mol:	-139.47
Dipole, Da:	7.25
IP(EA), eV:	-9.14(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-benzyl-3-sulfanylpropanoyl)amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations