Geometry & MOs

Info

ID:	301384
PubChem CID:	123080649
Reduced:	ClSO2N4C25H31 (1)
Stoich.:	ABC2D4E25F31 (1)
Weight, g/mol:	472.169975
ΔH_f, kcal/mol:	7.16
Dipole, Da:	5.2
IP(EA), eV:	-8.43(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-butyl-5-[(3-chlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3,4-diethoxyphenyl)methanimine

Drug info:

PubChemData

Smile

CCCCC1=NN=C(N1/N=C\C2=CC(=C(C=C2)OC(C)C)OCC)SCC3=CC(=CC=C3)Cl

DOS

IR

Vibrations