Geometry & MOs

Info

ID:

150536

PubChem CID:

53790229

Reduced:

NO10C30H62 (2)

Stoich.:

AB10C30D62 (2)

Weight, g/mol:

647.263151

ΔHf, kcal/mol:

-977.56

Dipole, Da:

21.9

IP(EA), eV:

-8.02(-1.37)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

N-[1-[(2R,4S,5S)-4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-2-oxopyrimidin-4-yl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CCCOC(CCOCCCOC(CCO)N(C(CCO)OCCCOCCC(OCCC)OCCC)N(C(CCO)OCCCOCCC(OCCC)OCCC)C(CCO)OCCCOCCC(OCCC)OCCC)OCCC

DOS

IR

Vibrations