Geometry & MOs

Info

ID:	439391
PubChem CID:	135229164
Reduced:	SF3N5C16H18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	401.113331
ΔH_f, kcal/mol:	-67.38
Dipole, Da:	7.28
IP(EA), eV:	-8.43(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(E)-(2-cyclopropyl-5-ethylsulfonyl-1-methylimidazol-4-yl)iminomethyl]-5-(trifluoromethyl)pyridin-3-amine

Drug info:

PubChemData

Smile

CCSC1=C(N=C(N1C)C2CC2)/N=C/C3=C(C=C(C=N3)C(F)(F)F)N

DOS

IR

Vibrations