Geometry & MOs

Info

ID:	301557
PubChem CID:	123085531
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	48.33
Dipole, Da:	7.16
IP(EA), eV:	-8.77(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)CSC2=NN=CN2/N=C\C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations