Geometry & MOs

Info

ID:	52792
PubChem CID:	14708966
Reduced:	SN2O6H20C21 (1)
Stoich.:	AB2C6D20E21 (1)
Weight, g/mol:	442.119858
ΔH_f, kcal/mol:	-125.11
Dipole, Da:	4.93
IP(EA), eV:	-8.69(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 7-methyl-2-[(2-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations