Geometry & MOs

Info

ID:

409852

PubChem CID:

135082639

Reduced:

O4H36C45 (1)

Stoich.:

A4B36C45 (1)

Weight, g/mol:

954.178306

ΔHf, kcal/mol:

3.07

Dipole, Da:

2.25

IP(EA), eV:

 -8.88(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dichlorotitanium;12-[(4R,5R)-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-naphthalen-1-yl-2-phenyl-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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2(O[C@H]([C@@H](O2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(C5=CC=CC=C5)(C6=CC=CC=C6)O)C7=CC=CC8=CC=CC=C87

DOS

IR

Vibrations