Geometry & MOs

Info

ID:	301601
PubChem CID:	123087627
Reduced:	OSCl2N4H20C23 (1)
Stoich.:	ABC2D4E20F23 (1)
Weight, g/mol:	350.065989
ΔH_f, kcal/mol:	88.0
Dipole, Da:	6.53
IP(EA), eV:	-8.71(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-N-[3-(naphthalen-1-ylmethylsulfanyl)-1,2,4-triazol-4-yl]-1-thiophen-2-ylmethanimine

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)/C=N\N2C=NN=C2SCC3=CC=CC4=CC=CC=C43)Cl

DOS

IR

Vibrations