Geometry & MOs

Info

ID:	190456
PubChem CID:	78008291
Reduced:	N3O3H31C33 (1)
Stoich.:	A3B3C31D33 (1)
Weight, g/mol:	550.202321
ΔH_f, kcal/mol:	-38.61
Dipole, Da:	2.13
IP(EA), eV:	-8.43(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC=C(C=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

DOS

IR

Vibrations