Geometry & MOs

Info

ID:	303555
PubChem CID:	124489899
Reduced:	SO3N4C18H18 (1)
Stoich.:	AB3C4D18E18 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-76.69
Dipole, Da:	2.86
IP(EA), eV:	-9.04(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=NC=C(S4)C

DOS

IR

Vibrations