Geometry & MOs

Info

ID:	44254
PubChem CID:	10502238
Reduced:	N2O3C26H32 (1)
Stoich.:	A2B3C26D32 (1)
Weight, g/mol:	420.09662
ΔH_f, kcal/mol:	-99.21
Dipole, Da:	5.63
IP(EA), eV:	-8.39(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-cyano-6-methyl-1-[(4-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate

Drug info:

PubChemData

Smile

CC/C=C(\C1=CC=CC=C1N2CCCCC2)/NC(=O)CC3=CC=C(C=C3)C(=O)OCC

DOS

IR

Vibrations