Geometry & MOs

Info

ID:	303560
PubChem CID:	124489905
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	336.12407
ΔH_f, kcal/mol:	-76.58
Dipole, Da:	0.49
IP(EA), eV:	-9.13(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[3-(4-chloroindol-1-yl)propanoylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCCN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=NC(=CS4)C

DOS

IR

Vibrations