Geometry & MOs

Info

ID:

17009

PubChem CID:

482026

Reduced:

N3O7C37H51 (1)

Stoich.:

A3B7C37D51 (1)

Weight, g/mol:

649.372701

ΔHf, kcal/mol:

-303.56

Dipole, Da:

5.16

IP(EA), eV:

 -9.16(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S,3R)-3-hydroxy-4-[[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]amino]-1-(2-phenylmethoxyphenyl)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CNC[C@H]([C@H](CC2=CC=CC=C2OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations