Geometry & MOs

Info

ID:

229083

PubChem CID:

87566917

Reduced:

PSF2N2O10C32H39 (1)

Stoich.:

ABC2D2E10F32G39 (1)

Weight, g/mol:

712.20311

ΔHf, kcal/mol:

-537.18

Dipole, Da:

10.53

IP(EA), eV:

 -9.19(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOP(=O)(C(C1=CC=C(C=C1)C[C@@H](C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O)NS(=O)(=O)C3=CC=CC=C3)(F)F)OCC

DOS

IR

Vibrations