Geometry & MOs

Info

ID:	52828
PubChem CID:	14709029
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	410.093643
ΔH_f, kcal/mol:	-76.33
Dipole, Da:	7.4
IP(EA), eV:	-9.02(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 7,9-dimethyl-2-(2-nitrophenyl)-1-oxothieno[3,2-a]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=C3N1C=C(C=C3C)C)C(=O)C(S2)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations