Geometry & MOs

Info

ID:

181360

PubChem CID:

76734654

Reduced:

NSO5C30H37 (1)

Stoich.:

ABC5D30E37 (1)

Weight, g/mol:

599.270545

ΔHf, kcal/mol:

-198.99

Dipole, Da:

7.39

IP(EA), eV:

 -9.0(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-cyclopentyl-11-hydroxy-9,13-dimethyl-8-(2-quinolin-2-ylsulfanylacetyl)-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3C(CC2(C1(C(=O)CSCC(=O)NC5=CC=CC=C5)O)C)O)C

DOS

IR

Vibrations