Geometry & MOs

Info

ID:

17001

PubChem CID:

481878

Reduced:

NO2C10H14 (4)

Stoich.:

AB2C10D14 (4)

Weight, g/mol:

720.409815

ΔHf, kcal/mol:

-358.7

Dipole, Da:

3.74

IP(EA), eV:

 -9.42(-0.11)

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-methyl-5-(phenylmethoxycarbonylamino)pentan-2-yl]oxycarbonylamino]-4-phenylbutyl]amino]-1-phenylbutan-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=C2)NC(=O)OC(C)(C)CCCNC(=O)OCC3=CC=CC=C3)O)O

DOS

IR

Vibrations