Geometry & MOs

Info

ID:	301600
PubChem CID:	123087625
Reduced:	ClOSN4H19C22 (1)
Stoich.:	ABCD4E19F22 (1)
Weight, g/mol:	470.073488
ΔH_f, kcal/mol:	106.27
Dipole, Da:	8.27
IP(EA), eV:	-8.86(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(3,5-dichloro-4-propan-2-yloxyphenyl)-N-[3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]methanimine

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=N\N2C=NN=C2SCC3=CC=CC4=CC=CC=C43)Cl

DOS

IR

Vibrations