Geometry & MOs

Info

ID:	34184
PubChem CID:	7890227
Reduced:	SN2O6C16H16 (1)
Stoich.:	AB2C6D16E16 (1)
Weight, g/mol:	393.099457
ΔH_f, kcal/mol:	-202.2
Dipole, Da:	6.88
IP(EA), eV:	-9.56(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)OC(=O)C2=CC(=CC=C2)O

DOS

IR

Vibrations