Geometry & MOs

Info

ID:	52807
PubChem CID:	14708988
Reduced:	SN2O3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	392.119464
ΔH_f, kcal/mol:	-48.67
Dipole, Da:	8.68
IP(EA), eV:	-8.0(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-amino-2-benzoyl-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=CC=C4)N

DOS

IR

Vibrations