Geometry & MOs

Info

ID:	66138
PubChem CID:	46499946
Reduced:	N2O3C11H11 (2)
Stoich.:	A2B3C11D11 (2)
Weight, g/mol:	386.049191
ΔH_f, kcal/mol:	-188.98
Dipole, Da:	6.05
IP(EA), eV:	-9.8(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (5Z)-2-(3-chloroanilino)-4-oxo-5-(pyridin-4-ylmethylidene)thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C(C(=C1)C(=O)NNC(=O)CCN2C(=O)C3=CC=CC=C3C2=O)C)C

DOS

IR

Vibrations