Geometry & MOs

Info

ID:	301598
PubChem CID:	123087551
Reduced:	ClOSN4C29H33 (1)
Stoich.:	ABCD4E29F33 (1)
Weight, g/mol:	508.193297
ΔH_f, kcal/mol:	66.5
Dipole, Da:	5.31
IP(EA), eV:	-8.85(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-[4-[(2,5-dimethylphenyl)methoxy]-3-methoxyphenyl]-N-[3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCCCCCCCCOC1=C(C=C(C=C1)/C=N\N2C=NN=C2SCC3=CC=CC4=CC=CC=C43)Cl

DOS

IR

Vibrations