Geometry & MOs

Info

ID:	54142
PubChem CID:	14720390
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	453.262757
ΔH_f, kcal/mol:	-160.22
Dipole, Da:	8.28
IP(EA), eV:	-8.95(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dicyclohexylamino)-4-(1H-indole-2-carbonylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)[C@@H](CCC(=O)O)NC(=O)C1=CC2=CC=CC=C2N1

DOS

IR

Vibrations