Geometry & MOs

Info

ID:	81027
PubChem CID:	49854267
Reduced:	ClN2O3C22H25 (1)
Stoich.:	AB2C3D22E25 (1)
Weight, g/mol:	414.17102
ΔH_f, kcal/mol:	-108.6
Dipole, Da:	0.97
IP(EA), eV:	-8.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-1-[3-(2-phenylpropan-2-ylamino)propanoyl]-2,3-dihydroindol-3-yl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C1=CC=CC=C1)NCCC(=O)N2CC(C3=C2C=CC(=C3)Cl)CC(=O)O

DOS

IR

Vibrations