Geometry & MOs

Info

ID:	37508
PubChem CID:	8021677
Reduced:	Cl2N3O4C12H13 (1)
Stoich.:	A2B3C4D12E13 (1)
Weight, g/mol:	398.984732
ΔH_f, kcal/mol:	-164.18
Dipole, Da:	3.27
IP(EA), eV:	-10.29(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 5,6-dichloropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)C1=CC(=C(N=C1)Cl)Cl

DOS

IR

Vibrations