Geometry & MOs

Info

ID:	52795
PubChem CID:	14708970
Reduced:	NSO3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	391.124215
ΔH_f, kcal/mol:	-90.46
Dipole, Da:	3.79
IP(EA), eV:	-8.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzoyl-1,5,7-trimethylthieno[2,3-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations