Geometry & MOs

Info

ID:	431660
PubChem CID:	135171756
Reduced:	ClSO2N5H16C17 (1)
Stoich.:	ABC2D5E16F17 (1)
Weight, g/mol:	548.206897
ΔH_f, kcal/mol:	30.5
Dipole, Da:	4.69
IP(EA), eV:	-8.56(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-methoxycyclohexyl)-(2-methylpropyl)amino]-3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]phenyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=NN=C2N1CCOC3=C2C=C(C=N3)NSC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations