Geometry & MOs

Info

ID:	52810
PubChem CID:	14708992
Reduced:	ClSN2O3H19C22 (1)
Stoich.:	ABC2D3E19F22 (1)
Weight, g/mol:	441.99868
ΔH_f, kcal/mol:	-65.22
Dipole, Da:	7.96
IP(EA), eV:	-8.11(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-amino-2-(4-bromobenzoyl)thieno[3,2-a]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=C3N1C=C(C=C3C)C)C(=C(S2)C(=O)C4=CC=C(C=C4)Cl)N

DOS

IR

Vibrations