Geometry & MOs

Info

ID:

229028

PubChem CID:

87566804

Reduced:

FN7O10C46H60 (1)

Stoich.:

AB7C10D46E60 (1)

Weight, g/mol:

435.90731

ΔHf, kcal/mol:

-439.44

Dipole, Da:

6.91

IP(EA), eV:

 -8.45(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[2-bromo-4-(bromomethyl)phenyl]-difluoromethyl]-butan-2-yloxyphosphinic acid

Drug info:

PubChemData

Smile

CC(C)(CC(=O)N)[C@@H](C(=O)N1CC[C@@H]([C@@H]1C2=CC=C(C=C2)CN(CC3=CC=C(C=C3)[C@H]4[C@H](CCN4C(=O)[C@H](C(C)(C)CC(=O)N)N(C)C(=O)O)O)C5=CC=C(C=C5)F)O)N(C)C(=O)O

DOS

IR

Vibrations