Geometry & MOs

Info

ID:	301279
PubChem CID:	123071399
Reduced:	BrFOSN4H18C19 (1)
Stoich.:	ABCDE4F18G19 (1)
Weight, g/mol:	476.168225
ΔH_f, kcal/mol:	39.81
Dipole, Da:	6.25
IP(EA), eV:	-8.82(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations