Geometry & MOs

Info

ID:

179689

PubChem CID:

76519592

Reduced:

N2F5O5C17H17 (1)

Stoich.:

A2B5C5D17E17 (1)

Weight, g/mol:

571.362136

ΔHf, kcal/mol:

-438.45

Dipole, Da:

4.94

IP(EA), eV:

 -10.47(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl-[4-[[4-(2-ethylphenyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1CN(C(=O)N(C1=O)C(C2=C(C(=C(C=C2)F)F)F)(F)F)C3CC(C(O3)CO)O

DOS

IR

Vibrations