Geometry & MOs

Info

ID:	52821
PubChem CID:	14709010
Reduced:	SN2O5H14C19 (1)
Stoich.:	AB2C5D14E19 (1)
Weight, g/mol:	393.103479
ΔH_f, kcal/mol:	-55.23
Dipole, Da:	6.17
IP(EA), eV:	-9.25(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-benzoyl-1-methoxy-6-methylthieno[2,3-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=CC=CN2C3=C1SC(C3=O)C4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations