Geometry & MOs

Info

ID:	187634
PubChem CID:	77601753
Reduced:	SO2N3C26H37 (1)
Stoich.:	AB2C3D26E37 (1)
Weight, g/mol:	432.251189
ΔH_f, kcal/mol:	-72.47
Dipole, Da:	5.09
IP(EA), eV:	-9.05(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one

Drug info:

PubChemData

Smile

CCCCC1(CC(CCN1C(=O)O)C2CCNCC2)C3=CC=C(C=C3)CCC4=NC=CS4

DOS

IR

Vibrations