Geometry & MOs

Info

ID:	52796
PubChem CID:	14708974
Reduced:	NSO3H21C23 (1)
Stoich.:	ABC3D21E23 (1)
Weight, g/mol:	397.053942
ΔH_f, kcal/mol:	-61.49
Dipole, Da:	3.8
IP(EA), eV:	-8.32(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations