Geometry & MOs

Info

ID:	297994
PubChem CID:	117645072
Reduced:	NSO8C26H33 (1)
Stoich.:	ABC8D26E33 (1)
Weight, g/mol:	382.13223
ΔH_f, kcal/mol:	-266.07
Dipole, Da:	7.73
IP(EA), eV:	-8.8(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(6-chloropyridin-3-yl)-8-(dimethylamino)-7-hydroxy-6-phenyl-1,2,3,8-tetrahydroindolizin-4-ium-5-one

Drug info:

PubChemData

Smile

CC(=CCC1=C(C(=C(C=C1OCOC)OC)C(=O)/C=C/C2=CC=C(C=C2)CS(=O)(=O)N)OCOC)C

DOS

IR

Vibrations