Geometry & MOs

Info

ID:	52826
PubChem CID:	14709024
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	471.01399
ΔH_f, kcal/mol:	-48.38
Dipole, Da:	7.14
IP(EA), eV:	-8.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CN2C3=C1SC(=C3OC)C4=CC=CC=C4[N+](=O)[O-])C

DOS

IR

Vibrations