Geometry & MOs

Info

ID:	52820
PubChem CID:	14709008
Reduced:	BrNSO4H14C20 (1)
Stoich.:	ABCD4E14F20 (1)
Weight, g/mol:	382.062343
ΔH_f, kcal/mol:	-81.48
Dipole, Da:	1.28
IP(EA), eV:	-8.6(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-nitrophenyl)-1-oxothieno[2,3-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=CC=CN2C3=C1S/C(=C(\C4=CC=C(C=C4)Br)/O)/C3=O

DOS

IR

Vibrations