Geometry & MOs

Info

ID:	429888
PubChem CID:	135169942
Reduced:	F3N3H12C14 (1)
Stoich.:	A3B3C12D14 (1)
Weight, g/mol:	482.124898
ΔH_f, kcal/mol:	-59.94
Dipole, Da:	5.48
IP(EA), eV:	-8.8(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1Z)-2-[N-(1,3-benzothiazol-7-yl)-C-(trifluoromethyl)carbonimidoyl]-3-N-[5-methyl-6-(triazol-2-yl)pyridin-3-yl]penta-1,3,4-triene-1,3-diamine

Drug info:

PubChemData

Smile

C=C/C(=C/N)/C(=NC1=NCC2=CC=CC=C21)C(F)(F)F

DOS

IR

Vibrations