Geometry & MOs

Info

ID:	301641
PubChem CID:	123089866
Reduced:	SCl2O4N5H19C20 (1)
Stoich.:	AB2C4D5E19F20 (1)
Weight, g/mol:	481.037831
ΔH_f, kcal/mol:	28.46
Dipole, Da:	5.62
IP(EA), eV:	-9.07(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-[(2,4-dichlorophenyl)methylsulfanyl]-1,2,4-triazol-4-yl]-1-(3-ethoxy-4-methoxy-5-nitrophenyl)methanimine

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)[N+](=O)[O-])/C=N\N2C=NN=C2SCC3=C(C=C(C=C3)Cl)Cl

DOS

IR

Vibrations