Geometry & MOs

Info

ID:	54141
PubChem CID:	14720388
Reduced:	N3O4C20H27 (1)
Stoich.:	A3B4C20D27 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-172.3
Dipole, Da:	2.26
IP(EA), eV:	-8.7(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN(CCC)C(=O)C(CCC(=O)O)NC(=O)C1=CC2=CC=CC=C2N1

DOS

IR

Vibrations