Geometry & MOs

Info

ID:

397393

PubChem CID:

135030151

Reduced:

BrNO2H12C16 (1)

Stoich.:

ABC2D12E16 (1)

Weight, g/mol:

415.13978

ΔHf, kcal/mol:

7.5

Dipole, Da:

3.52

IP(EA), eV:

 -8.83(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1'R,2'S,4R,6'S,8'R,11'S,15'S)-15'-(2-chloroethyl)-2,2,4',4'-tetramethylspiro[1,3-dioxolane-4,7'-3,5,12-trioxa-14-azatetracyclo[6.6.1.01,11.02,6]pentadecane]-10',13'-dione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=C(C=NC3=CC=CC=C32)Br

DOS

IR

Vibrations