Geometry & MOs

Info

ID:	301550
PubChem CID:	123085249
Reduced:	ClFSO2N4H24C26 (1)
Stoich.:	ABCD2E4F24G26 (1)
Weight, g/mol:	472.193297
ΔH_f, kcal/mol:	23.22
Dipole, Da:	4.74
IP(EA), eV:	-8.59(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2,5-dimethylphenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3-ethoxy-4-phenylmethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=N\N2C(=NN=C2SCC3=C(C=CC=C3Cl)F)CC4=CC=CC=C4)OC

DOS

IR

Vibrations