Geometry & MOs

Info

ID:	301275
PubChem CID:	123071395
Reduced:	FOSN4H17C18 (1)
Stoich.:	ABCD4E17F18 (1)
Weight, g/mol:	506.17879
ΔH_f, kcal/mol:	50.92
Dipole, Da:	2.97
IP(EA), eV:	-9.37(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN=C(N1NC=C2C=CC(=O)C=C2)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations