Geometry & MOs

Info

ID:

188402

PubChem CID:

77711388

Reduced:

ClFSO2N5H35C38 (1)

Stoich.:

ABCD2E5F35G38 (1)

Weight, g/mol:

851.365915

ΔHf, kcal/mol:

22.95

Dipole, Da:

8.25

IP(EA), eV:

 -8.9(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxy-3-[4-hydroxy-5-[1-hydroxy-2,2-bis(4-methoxyphenyl)-2-phenylethyl]oxolan-2-yl]-2-oxo-4H-pyrimidin-6-yl]benzamide

Drug info:

PubChemData

Smile

CSCCC1CN(C(=O)CN1C(CC2=CC(=C(C=C2)C#N)F)C3=CN=CN3)C4=C(C=CC(=C4)Cl)C5=CC(=CC=C5)OCC6=CC=CC=C6

DOS

IR

Vibrations