Geometry & MOs

Info

ID:	52797
PubChem CID:	14708975
Reduced:	ClNSO3H16C21 (1)
Stoich.:	ABCD3E16F21 (1)
Weight, g/mol:	441.00343
ΔH_f, kcal/mol:	-52.8
Dipole, Da:	4.51
IP(EA), eV:	-8.62(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=CC=CN2C3=C1SC(=C3C)C(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations