Geometry & MOs

Info

ID:	89893
PubChem CID:	49965282
Reduced:	Cl2S2N3O3H9C16 (1)
Stoich.:	A2B2C3D3E9F16 (1)
Weight, g/mol:	437.027076
ΔH_f, kcal/mol:	-35.84
Dipole, Da:	0.88
IP(EA), eV:	-9.2(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[3-amino-5-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-4-cyanothiophen-2-yl]-3-oxopropanoate

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)Cl)NC(=O)CSC2=C(C3=C(S2)C(=O)C=C(N3)O)C#N)Cl

DOS

IR

Vibrations