Geometry & MOs

Info

ID:

229578

PubChem CID:

87568076

Reduced:

FN3O4H24C27 (1)

Stoich.:

AB3C4D24E27 (1)

Weight, g/mol:

824.32831

ΔHf, kcal/mol:

-78.99

Dipole, Da:

6.46

IP(EA), eV:

 -9.63(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

difluoromethyl-[4-[(2S)-2-[(4-dodecylphenyl)sulfonylamino]-3-[4-(3-hydroxy-2-methoxycarbonylphenoxy)butylamino]-3-oxopropyl]phenoxy]phosphinic acid

Drug info:

PubChemData

Smile

C1CC1NC(=O)/C(=C\C2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=O)NO)/C4=CC(=CC=C4)F

DOS

IR

Vibrations