Geometry & MOs

Info

ID:

82350

PubChem CID:

49855923

Reduced:

Br2O3H16C19 (1)

Stoich.:

A2B3C16D19 (1)

Weight, g/mol:

937.20432

ΔHf, kcal/mol:

-56.44

Dipole, Da:

6.78

IP(EA), eV:

-8.34(-0.73)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl N-[(2R,3S,4R,6R)-6-[5-[2-(2,3-dibromo-4-methoxy-6-methyl-8-phenylmethoxynaphthalen-1-yl)oxyethyl-dimethylsilyl]furan-2-yl]-2-methyl-3-phenylmethoxyoxan-4-yl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C(=C1)OCC3=CC=CC=C3)C(=C(C(=C2OC)Br)Br)O

DOS

IR

Vibrations