Geometry & MOs

Info

ID:

229138

PubChem CID:

87567042

Reduced:

BrPSF2N3O10C27H29 (1)

Stoich.:

ABCD2E3F10G27H29 (1)

Weight, g/mol:

582.140116

ΔHf, kcal/mol:

-501.9

Dipole, Da:

8.05

IP(EA), eV:

 -8.93(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(2S)-2-(benzenesulfonamido)-3-oxo-3-(4-phenoxybutylamino)propyl]phenoxy]-(difluoromethyl)phosphinic acid

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1OCCCCNC(=O)[C@H](CC2=CC(=C(C=C2)OP(=O)(C(F)F)O)Br)NS(=O)(=O)C3=CN=CC=C3)O

DOS

IR

Vibrations