Geometry & MOs

Info

ID:	34180
PubChem CID:	7890212
Reduced:	NO2C6H7 (3)
Stoich.:	AB2C6D7 (3)
Weight, g/mol:	393.099457
ΔH_f, kcal/mol:	-129.0
Dipole, Da:	5.25
IP(EA), eV:	-8.72(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-ethyl-5-methyl-2-[[2-(5-nitro-2-oxopyridin-1-yl)acetyl]amino]thiophene-3-carboxylate

Drug info:

PubChemData

Smile

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations