Geometry & MOs

Info

ID:	216900
PubChem CID:	85086945
Reduced:	NSO4C15H23 (1)
Stoich.:	ABC4D15E23 (1)
Weight, g/mol:	314.079038
ΔH_f, kcal/mol:	-184.75
Dipole, Da:	4.66
IP(EA), eV:	-8.96(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-17,17-dimethyl-12,16-dioxatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),3(8),4,6-tetraene-2,9,13-trione

Drug info:

PubChemData

Smile

CCOC(=O)C1C2CCC(=O)C2CN1C3(C(CCO3)S)C

DOS

IR

Vibrations