Geometry & MOs

Info

ID:	52793
PubChem CID:	14708967
Reduced:	SN2O6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	456.135508
ΔH_f, kcal/mol:	-133.1
Dipole, Da:	6.6
IP(EA), eV:	-8.55(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 6,8-dimethyl-2-[(2-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2C=C(C=CN2C(=C1SCC3=CC=CC=C3[N+](=O)[O-])C(=O)OCC)C

DOS

IR

Vibrations