Geometry & MOs

Info

ID:	429607
PubChem CID:	135169656
Reduced:	SO2F3N3C16H18 (1)
Stoich.:	AB2C3D3E16F18 (1)
Weight, g/mol:	475.088368
ΔH_f, kcal/mol:	-180.85
Dipole, Da:	2.82
IP(EA), eV:	-8.43(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,3Z)-2-(aminomethylidene)-N-[5-chloro-6-(triazol-2-yl)pyridin-3-yl]-4,4,4-trifluoro-3-imidazo[1,2-a]pyridin-5-yliminobutanamide

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1N2CCCS2=O)NC(=O)/C(=C(/C)\C(F)(F)F)/C=C

DOS

IR

Vibrations