Geometry & MOs

Info

ID:	144627
PubChem CID:	53389149
Reduced:	ON3C5H6 (2)
Stoich.:	AB3C5D6 (2)
Weight, g/mol:	586.207942
ΔH_f, kcal/mol:	-19.41
Dipole, Da:	1.31
IP(EA), eV:	-9.09(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[2,3-dimethyl-5-[[(1S)-1-[4-(trifluoromethoxy)phenyl]ethyl]carbamoyl]indol-1-yl]methyl]phenyl]benzoic acid

Drug info:

PubChemData

Smile

C1[C@H](NC(=O)[C@H]1N2C=NC3=C(N=CN=C32)N)CO

DOS

IR

Vibrations