Geometry & MOs

Info

ID:	383666
PubChem CID:	134975520
Reduced:	OCl2N2S2H6C11 (1)
Stoich.:	AB2C2D2E6F11 (1)
Weight, g/mol:	215.098
ΔH_f, kcal/mol:	36.99
Dipole, Da:	7.66
IP(EA), eV:	-9.58(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-ethanethioyl-3-(ethylamino)but-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CSC2=C(C(=O)NS2)C#N)Cl)Cl

DOS

IR

Vibrations