Geometry & MOs

Info

ID:	52790
PubChem CID:	14708964
Reduced:	SN2O6C22H22 (1)
Stoich.:	AB2C6D22E22 (1)
Weight, g/mol:	456.135508
ΔH_f, kcal/mol:	-136.95
Dipole, Da:	10.11
IP(EA), eV:	-8.81(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 6,8-dimethyl-2-[(4-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations