Geometry & MOs

Info

ID:

229096

PubChem CID:

87566943

Reduced:

SN2O7C17H30 (1)

Stoich.:

AB2C7D17E30 (1)

Weight, g/mol:

648.204824

ΔHf, kcal/mol:

-343.94

Dipole, Da:

5.01

IP(EA), eV:

 -9.38(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

difluoromethyl-[4-[(2S)-3-[4-(2-methoxycarbonyl-3-methylphenoxy)butylamino]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]phenoxy]phosphinic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCN(C1=O)[C@H]2CC[C@@H](C[C@H]2OC)OS(=O)(=O)C

DOS

IR

Vibrations