Geometry & MOs

Info

ID:	44715
PubChem CID:	10505517
Reduced:	N3O5C29H29 (1)
Stoich.:	A3B5C29D29 (1)
Weight, g/mol:	499.166473
ΔH_f, kcal/mol:	-108.22
Dipole, Da:	9.85
IP(EA), eV:	-9.06(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-(3-ethoxy-3-oxopropyl)sulfanyl-8-phenylmethoxyindolizine-1,3-dicarboxylate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC[C@@H]4[C@H](C[C@@H](O4)N5C=CC(=NC5=O)N)O

DOS

IR

Vibrations