Geometry & MOs

Info

ID:	52823
PubChem CID:	14709018
Reduced:	ClNSO4H18C22 (1)
Stoich.:	ABCD4E18F22 (1)
Weight, g/mol:	456.99834
ΔH_f, kcal/mol:	-93.96
Dipole, Da:	8.12
IP(EA), eV:	-8.49(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-bromobenzoyl)-1-methoxythieno[2,3-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CN2C3=C1SC(=C3OC)C(=O)C4=CC=C(C=C4)Cl)C

DOS

IR

Vibrations