Geometry & MOs

Info

ID:

170508

PubChem CID:

75244095

Reduced:

NF2O2C33H33 (1)

Stoich.:

AB2C2D33E33 (1)

Weight, g/mol:

667.34688

ΔHf, kcal/mol:

-119.26

Dipole, Da:

8.75

IP(EA), eV:

 -9.16(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 2-[[1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-4-(2-phenylacetyl)oxypyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC25C(=C(F)F)CCO5)C6=CC=C(C=C6)C7=CN=CC=C7

DOS

IR

Vibrations