Geometry & MOs

Info

ID:	37154
PubChem CID:	8017595
Reduced:	ClN3O4C12H14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	365.023705
ΔH_f, kcal/mol:	-153.73
Dipole, Da:	4.79
IP(EA), eV:	-10.34(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations