Geometry & MOs

Info

ID:

47190

PubChem CID:

10530556

Reduced:

SN3O5H29C30 (1)

Stoich.:

AB3C5D29E30 (1)

Weight, g/mol:

543.294451

ΔHf, kcal/mol:

-94.69

Dipole, Da:

9.25

IP(EA), eV:

 -9.5(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[4-(2-morpholin-4-ylethoxy)phenyl]methylamino]-5-phenylpentanoic acid

Drug info:

PubChemData

Smile

CCCN1C(=C(C(=N1)C2CC2)C(=O)O)CC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)NC(=O)C5=CC=CC=C5

DOS

IR

Vibrations