Geometry & MOs

Info

ID:	190457
PubChem CID:	78008292
Reduced:	ClN2O3H31C34 (1)
Stoich.:	AB2C3D31E34 (1)
Weight, g/mol:	546.251858
ΔH_f, kcal/mol:	-58.24
Dipole, Da:	2.01
IP(EA), eV:	-8.46(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[5-[1-(2-methoxy-4-methylphenyl)ethylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)NC(=O)C2=CC3=C(C=C2)N(C(=C3C)C)CC4=CC=C(C=C4)C5=CC=CC=C5C(=O)O)Cl

DOS

IR

Vibrations