Geometry & MOs

Info

ID:

127769

PubChem CID:

51014448

Reduced:

NO4C31H47 (1)

Stoich.:

AB4C31D47 (1)

Weight, g/mol:

508.309951

ΔHf, kcal/mol:

-113.68

Dipole, Da:

11.12

IP(EA), eV:

 -5.65(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[1-[chloro-[(1R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]boranyl]pentan-3-yloxy]-diphenylsilane

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CC[C@@]2([C@H]3CC[C@@]45CCC[C@@]46[C@@]2([C@@H]1N(C3)C5)C[C@H](O6)C(=O)[C@@]7(CO[C@@]8(CC[C@H]7O8)C)C)C

DOS

IR

Vibrations