Geometry & MOs

Info

ID:	52801
PubChem CID:	14708982
Reduced:	SN2O4H18C21 (1)
Stoich.:	AB2C4D18E21 (1)
Weight, g/mol:	408.114378
ΔH_f, kcal/mol:	-28.41
Dipole, Da:	8.4
IP(EA), eV:	-8.56(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1,5,7-trimethyl-2-(4-nitrophenyl)thieno[2,3-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations