Geometry & MOs

Info

ID:

394635

PubChem CID:

135023350

Reduced:

BrON2C15H18 (2)

Stoich.:

ABC2D15E18 (2)

Weight, g/mol:

634.33258

ΔHf, kcal/mol:

-33.21

Dipole, Da:

3.52

IP(EA), eV:

 -9.57(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(E,4S)-6-[tert-butyl(diphenyl)silyl]oxy-1-[(4S,5S)-2,2-dimethyl-5-(phenylmethoxymethyl)-1,3-dioxolan-4-yl]-4-(methoxymethoxy)hex-1-en-3-ol

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)C(=NCCN=C(C2=CC=C(C=C2)Br)C(=O)NC3CCCCC3)C4=CC=C(C=C4)Br

DOS

IR

Vibrations