Geometry & MOs

Info

ID:	317278
PubChem CID:	126635357
Reduced:	OSCl3N3H12C16 (1)
Stoich.:	ABC3D3E12F16 (1)
Weight, g/mol:	309.096955
ΔH_f, kcal/mol:	62.31
Dipole, Da:	1.86
IP(EA), eV:	-9.6(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-N-[(Z)-2-(methylideneamino)-1-(pyridin-3-ylmethylsulfanyl)prop-1-enyl]acetamide

Drug info:

PubChemData

Smile

CCN1C2=C(N=C(S2)C3=C(C=CC4(C1=O)CC4(Cl)Cl)C=CN=C3)Cl

DOS

IR

Vibrations