Geometry & MOs

Info

ID:

409845

PubChem CID:

135082632

Reduced:

O2C17H18 (2)

Stoich.:

A2B17C18 (2)

Weight, g/mol:

790.237407

ΔHf, kcal/mol:

-98.95

Dipole, Da:

2.63

IP(EA), eV:

 -9.41(0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-[(4R,5R)-2-tert-butyl-5-(12-hydroxy-12-pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaenyl)-2-methyl-1,3-dioxolan-4-yl]pentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-12-ol;difluorotitanium

Drug info:

PubChemData

Smile

CC1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)C(C)(C)C

DOS

IR

Vibrations