Geometry & MOs

Info

ID:	52804
PubChem CID:	14708985
Reduced:	SN2O3C16H16 (1)
Stoich.:	AB2C3D16E16 (1)
Weight, g/mol:	330.103814
ΔH_f, kcal/mol:	-89.22
Dipole, Da:	5.1
IP(EA), eV:	-8.03(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetyl-1-amino-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)C)N

DOS

IR

Vibrations