Geometry & MOs

Info

ID:	426670
PubChem CID:	135153249
Reduced:	SO2F3N4C25H29 (1)
Stoich.:	AB2C3D4E25F29 (1)
Weight, g/mol:	496.266125
ΔH_f, kcal/mol:	-170.06
Dipole, Da:	8.83
IP(EA), eV:	-9.0(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]-3-[[5-(trifluoromethyl)-1H-imidazol-2-yl]amino]phenyl]butanoic acid

Drug info:

PubChemData

Smile

CC(C)CN(CC(C)C)C1=C(C=C(C=C1)C2=CC=CC=C2C(=O)OC)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations