Geometry & MOs

Info

ID:	52791
PubChem CID:	14708965
Reduced:	SN2O6C23H24 (1)
Stoich.:	AB2C6D23E24 (1)
Weight, g/mol:	428.104208
ΔH_f, kcal/mol:	-142.33
Dipole, Da:	9.1
IP(EA), eV:	-8.61(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations