Geometry & MOs

Info

ID:	432012
PubChem CID:	135172144
Reduced:	NSO2C8H11 (1)
Stoich.:	ABC2D8E11 (1)
Weight, g/mol:	517.201083
ΔH_f, kcal/mol:	-65.54
Dipole, Da:	2.97
IP(EA), eV:	-9.77(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CCC(C#N)C(=O)CSC(=O)C

DOS

IR

Vibrations