Geometry & MOs

Info

ID:	431665
PubChem CID:	135171761
Reduced:	SO2F3N4C25H35 (1)
Stoich.:	AB2C3D4E25F35 (1)
Weight, g/mol:	512.243282
ΔH_f, kcal/mol:	-212.71
Dipole, Da:	6.8
IP(EA), eV:	-8.8(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-[cyclohexyl(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]pentanoate

Drug info:

PubChemData

Smile

CC[C@H](CC(=O)OC)C1=CC(=C(C=C1)N(CC(C)C)C2CCCCC2)NC3=NC(=NS3)C(F)(F)F

DOS

IR

Vibrations