Geometry & MOs

Info

ID:	81028
PubChem CID:	49854268
Reduced:	ClN2O3C23H27 (1)
Stoich.:	AB2C3D23E27 (1)
Weight, g/mol:	380.209993
ΔH_f, kcal/mol:	-112.14
Dipole, Da:	5.35
IP(EA), eV:	-8.93(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[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)CCC(=O)O

DOS

IR

Vibrations