Geometry & MOs

Info

ID:

59690

PubChem CID:

24893740

Reduced:

O20C45H76 (1)

Stoich.:

A20B45C76 (1)

Weight, g/mol:

448.264501

ΔHf, kcal/mol:

-984.4

Dipole, Da:

2.73

IP(EA), eV:

 -10.18(0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

dimethyl (1R,5S,8S,12R)-4,8-dimethyl-13-methylidene-5-trimethylsilyloxytetracyclo[10.2.1.01,9.03,8]pentadecane-2,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1C2C(C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(C[C@@H]([C@@H](C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@H]([C@H](O7)CO)O)O)O)O)C)C)OC1(CC[C@@H](C)CO[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O

DOS

IR

Vibrations