Geometry & MOs

Info

ID:

229137

PubChem CID:

87567040

Reduced:

NPF2O8C26H34 (1)

Stoich.:

ABC2D8E26F34 (1)

Weight, g/mol:

735.04627

ΔHf, kcal/mol:

-495.7

Dipole, Da:

4.16

IP(EA), eV:

 -9.32(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-bromo-4-[(2S)-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxo-2-(pyridin-3-ylsulfonylamino)propyl]phenoxy]-(difluoromethyl)phosphinic acid

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=CC=C(C=C1)CCC(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O)(F)F)O

DOS

IR

Vibrations