Geometry & MOs

Info

ID:

159156

PubChem CID:

57264261

Reduced:

SN5O5C26H33 (1)

Stoich.:

AB5C5D26E33 (1)

Weight, g/mol:

537.283886

ΔHf, kcal/mol:

-171.54

Dipole, Da:

10.77

IP(EA), eV:

 -9.19(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2R,3R)-3-benzyl-3-(2,5-dihydroxypyrrol-1-yl)-2-methyl-4-(methylamino)-4-oxo-2-(phenylmethoxymethyl)butyl]carbamate

Drug info:

PubChemData

Smile

C1[C@H](C(=O)N([C@@H]1CNS(=O)(=O)C2=CC3=C(CC(C3)N=C(N)N)C=C2)CCCC4=CC=CC=C4)CC(=O)O

DOS

IR

Vibrations