Geometry & MOs

Info

ID:	52800
PubChem CID:	14708981
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	394.098728
ΔH_f, kcal/mol:	-17.56
Dipole, Da:	7.15
IP(EA), eV:	-8.64(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,6-dimethyl-2-(4-nitrophenyl)thieno[2,3-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=CC=CN2C3=C1SC(=C3C)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations