Geometry & MOs

Info

ID:	171339
PubChem CID:	75362020
Reduced:	FSN5H14C22 (1)
Stoich.:	ABC5D14E22 (1)
Weight, g/mol:	387.065365
ΔH_f, kcal/mol:	141.64
Dipole, Da:	3.66
IP(EA), eV:	-9.46(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(4-amino-3,5-dichlorophenyl)-3-(1-benzyltriazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=CN(N=C3C4=CC=C(C=C4)F)CCC#N)/C#N

DOS

IR

Vibrations