Geometry & MOs

Info

ID:	375882
PubChem CID:	134221876
Reduced:	ClNO4C29H30 (1)
Stoich.:	ABC4D29E30 (1)
Weight, g/mol:	419.128821
ΔH_f, kcal/mol:	-146.12
Dipole, Da:	7.24
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(4-chlorobenzoyl)-6-methyl-4-(4-methylphenyl)-2,3-dihydroindol-5-yl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C(=CC3=C2CCN3C(=O)C4=CC=C(C=C4)Cl)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations