Geometry & MOs

Info

ID:	52811
PubChem CID:	14708993
Reduced:	BrSN2O3H15C20 (1)
Stoich.:	ABC2D3E15F20 (1)
Weight, g/mol:	456.01433
ΔH_f, kcal/mol:	-39.45
Dipole, Da:	6.25
IP(EA), eV:	-8.24(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-amino-2-(4-bromobenzoyl)-8-methylthieno[3,2-a]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C(=C3N1C=CC=C3)C(=C(S2)C(=O)C4=CC=C(C=C4)Br)N

DOS

IR

Vibrations