Geometry & MOs

Info

ID:

297214

PubChem CID:

117613128

Reduced:

N3O3C20H21 (1)

Stoich.:

A3B3C20D21 (1)

Weight, g/mol:

671.252028

ΔHf, kcal/mol:

-54.12

Dipole, Da:

3.87

IP(EA), eV:

 -9.14(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,2-dimethylpropyl (2S)-2-[[[(2R,3R,4S,5R)-5-(2-amino-4-methoxypyrrolo[2,3-d]pyrimidin-7-yl)-4-ethenyl-3-fluoro-4-hydroxyoxolan-2-yl]methoxy-naphthalen-1-yloxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2C3=C(C=C(C=C3)C(=O)NCCOC)C(=N2)C

DOS

IR

Vibrations