Geometry & MOs

Info

ID:	301556
PubChem CID:	123085530
Reduced:	SCl2N4H16C18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	382.146347
ΔH_f, kcal/mol:	106.28
Dipole, Da:	7.01
IP(EA), eV:	-8.85(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3,4-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=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations