Geometry & MOs

Info

ID:	52809
PubChem CID:	14708991
Reduced:	ClSN2O3H17C21 (1)
Stoich.:	ABC2D3E17F21 (1)
Weight, g/mol:	426.080491
ΔH_f, kcal/mol:	-59.0
Dipole, Da:	8.22
IP(EA), eV:	-8.11(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-amino-2-(4-chlorobenzoyl)-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)Cl)N

DOS

IR

Vibrations