Geometry & MOs

Info

ID:

389169

PubChem CID:

134991388

Reduced:

OP2H39C41 (1)

Stoich.:

AB2C39D41 (1)

Weight, g/mol:

606.35327

ΔHf, kcal/mol:

81.78

Dipole, Da:

2.33

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.893684

Charge, e:

 0

Chem-info

IUPAC name:

(9S)-14,16,22,24-tetratert-butyl-19-chloro-18,20-dioxa-3,10-diaza-19-aluminatetracyclo[19.4.0.04,9.012,17]pentacosa-1(21),2,10,12(17),13,15,22,24-octaene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)P([C]2[CH][CH][CH][C]2[C@@H](C3=CC=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)OC)C6=CC(=CC(=C6)C)C)C

DOS

IR

Vibrations