Geometry & MOs

Info

ID:

384053

PubChem CID:

134976252

Reduced:

NO3C19H23 (1)

Stoich.:

AB3C19D23 (1)

Weight, g/mol:

1087.383387

ΔHf, kcal/mol:

-51.47

Dipole, Da:

1.27

IP(EA), eV:

 -8.49(0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[(2R,3S,5R)-3-[tert-butyl(dimethyl)silyl]oxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy-prop-2-enoxyphosphinothioyl]oxyoxolan-2-yl]-2-oxopyrimidin-4-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)N1C(C2=C(O1)C=CC=C2OCOC)C3=CC=CC=C3

DOS

IR

Vibrations