Geometry & MOs

Info

ID:

229509

PubChem CID:

87567888

Reduced:

OF2N3H9C11 (2)

Stoich.:

AB2C3D9E11 (2)

Weight, g/mol:

650.18746

ΔHf, kcal/mol:

-184.33

Dipole, Da:

5.99

IP(EA), eV:

 -8.46(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[4-[[(2S)-3-[4-[diethoxyphosphoryl(difluoro)methyl]phenyl]-2-(methanesulfonamido)propanoyl]amino]butoxy]-6-hydroxybenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC3=C(C=C2)N/C(=C\4/C(=C5C(=NC4=O)C=CC=C5F)N)/N3)C(=O)C(F)(F)F

DOS

IR

Vibrations