Geometry & MOs

Info

ID:

229439

PubChem CID:

87567655

Reduced:

SN3O6C26H39 (1)

Stoich.:

AB3C6D26E39 (1)

Weight, g/mol:

715.265651

ΔHf, kcal/mol:

-240.01

Dipole, Da:

3.62

IP(EA), eV:

 -8.73(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

butan-2-yloxy-[[4-[2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-oxo-3-(4-phenylbutylamino)propyl]phenyl]-difluoromethyl]phosphinic acid

Drug info:

PubChemData

Smile

C[C@]1(CC[C@@H]([C@@H](C1)OC)N(C(=O)[C@H](CCSC)OCC2=CC=CC=C2)N=C=O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations