Geometry & MOs

Info

ID:	52789
PubChem CID:	12015964
Reduced:	NO11C25H33 (1)
Stoich.:	AB11C25D33 (1)
Weight, g/mol:	442.119858
ΔH_f, kcal/mol:	-436.26
Dipole, Da:	4.54
IP(EA), eV:	-8.27(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 7-methyl-2-[(4-nitrophenyl)methylsulfanyl]indolizine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2[C@@H](NCCC2=C1)C[C@H]3[C@H]([C@@H](OC=C3C(=O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@H](O4)CO)O)O)O)C=C)O

DOS

IR

Vibrations