Geometry & MOs

Info

ID:	431819
PubChem CID:	135171925
Reduced:	SO2F3N7C22H30 (1)
Stoich.:	AB2C3D7E22F30 (1)
Weight, g/mol:	595.189867
ΔH_f, kcal/mol:	-135.14
Dipole, Da:	8.22
IP(EA), eV:	-9.18(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](CC(=O)O)C1=CC(=C(C=C1)N(CCCCCN=[N+]=[N-])CC(C)C)NC2=NC(=NS2)C(F)(F)F

DOS

IR

Vibrations