Geometry & MOs

Info

ID:	37802
PubChem CID:	8024583
Reduced:	SO2N5C19H19 (1)
Stoich.:	AB2C5D19E19 (1)
Weight, g/mol:	370.098728
ΔH_f, kcal/mol:	25.65
Dipole, Da:	3.0
IP(EA), eV:	-9.0(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2-ethoxybenzoate

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(=O)NC2=NC3=C(S2)CN(CC3)CC4=CC=CC=C4

DOS

IR

Vibrations