Geometry & MOs

Info

ID:	439466
PubChem CID:	135229240
Reduced:	SO2F3N5C16H18 (1)
Stoich.:	AB2C3D5E16F18 (1)
Weight, g/mol:	369.123501
ΔH_f, kcal/mol:	-156.78
Dipole, Da:	8.46
IP(EA), eV:	-9.02(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(E)-(2-cyclopropyl-5-ethylsulfanyl-1-methylimidazol-4-yl)iminomethyl]-2-(trifluoromethyl)pyridin-4-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=C(N=C(N1C)C2CC2)/N=C/C3=CN=C(C=C3N)C(F)(F)F

DOS

IR

Vibrations