Geometry & MOs

Info

ID:

329079

PubChem CID:

126731159

Reduced:

PF2N4O11C30H35 (1)

Stoich.:

AB2C4D11E30F35 (1)

Weight, g/mol:

723.193942

ΔHf, kcal/mol:

-552.35

Dipole, Da:

6.52

IP(EA), eV:

 -8.98(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

propan-2-yl (2R)-2-[[[(2R,3R)-5-[4-[(2,2-dimethyl-3H-1,3-benzothiazole-5-carbonyl)amino]-2-oxopyrimidin-1-yl]-4,4-difluoro-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC(C)C)NP(=O)(OC[C@@H]1[C@H](C(C(O1)N2C=CC(=NC2=O)NC(=O)C3=CC(=C(C=C3)OC)OC)(F)F)O)OC4=CC=CC=C4

DOS

IR

Vibrations