Geometry & MOs

Info

ID:

412536

PubChem CID:

135085432

Reduced:

NSBr2O3C10H11 (1)

Stoich.:

ABC2D3E10F11 (1)

Weight, g/mol:

863.220275

ΔHf, kcal/mol:

-98.03

Dipole, Da:

7.81

IP(EA), eV:

 -10.24(-1.38)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(13-oxido-13-oxo-16-triphenylsilyl-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-10-yl)-triphenylsilane

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C(=O)Br)Br

DOS

IR

Vibrations