Geometry & MOs

Info

ID:	185929
PubChem CID:	77369906
Reduced:	NO3C13H16 (2)
Stoich.:	AB3C13D16 (2)
Weight, g/mol:	538.22162
ΔH_f, kcal/mol:	-237.97
Dipole, Da:	2.06
IP(EA), eV:	-8.66(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[1-[2-(1H-indole-2-carbonylamino)-4-phenylbutanoyl]-2,3-dihydroindol-2-yl]acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C(CC2=CC=CC=C21)C(=O)N(CC(=O)OC)C(CC3=CC=CC=C3)OC

DOS

IR

Vibrations