Geometry & MOs

Info

ID:	52812
PubChem CID:	14708994
Reduced:	BrSN2O3H17C21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	470.02998
ΔH_f, kcal/mol:	-50.76
Dipole, Da:	7.45
IP(EA), eV:	-8.16(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-amino-2-(4-bromobenzoyl)-7,9-dimethylthieno[3,2-a]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations