Geometry & MOs

Info

ID:	429921
PubChem CID:	135169976
Reduced:	SN2F3O3C7H7 (1)
Stoich.:	AB2C3D3E7F7 (1)
Weight, g/mol:	501.131399
ΔH_f, kcal/mol:	-224.88
Dipole, Da:	3.52
IP(EA), eV:	-9.8(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-3-N-[(2E,4E)-5-chloro-6-(triazol-2-yl)hepta-2,4,6-trien-3-yl]-2-[C-(1,1-difluoroethyl)-N-thieno[2,3-c]pyridin-4-ylcarbonimidoyl]buta-1,3-diene-1,3-diamine

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)OSC(F)(F)F)C(=O)OC

DOS

IR

Vibrations