Geometry & MOs

Info

ID:	301273
PubChem CID:	123071393
Reduced:	BrFOSN4H18C19 (1)
Stoich.:	ABCDE4F18G19 (1)
Weight, g/mol:	458.17879
ΔH_f, kcal/mol:	45.56
Dipole, Da:	9.68
IP(EA), eV:	-8.7(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3,5-dimethoxy-4-propoxyphenyl)-N-[3-ethyl-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCC1=NN=C(N1/N=C\C2=CC(=C(C=C2)OC)Br)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations