Geometry & MOs

Info

ID:

146896

PubChem CID:

53768345

Reduced:

N3C12H14 (2)

Stoich.:

A3B12C14 (2)

Weight, g/mol:

673.372701

ΔHf, kcal/mol:

118.7

Dipole, Da:

10.5

IP(EA), eV:

 -8.91(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3S,5R)-3-hydroxy-6-[[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-methylamino]-5-[4-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1-phenylhexan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CN(C[C@H]1CNCC2=CC=CC=C2)CCN3C=CC4=C3C=CC(=C4)N5C=NN=C5

DOS

IR

Vibrations