Geometry & MOs

Info

ID:

16548

PubChem CID:

472474

Reduced:

S2N3O6C28H35 (1)

Stoich.:

A2B3C6D28E35 (1)

Weight, g/mol:

573.196728

ΔHf, kcal/mol:

-189.81

Dipole, Da:

7.56

IP(EA), eV:

 -9.4(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S)-oxolan-3-yl] N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CCOC2)O)S(=O)(=O)C3=CC=C(S3)C4=CC=CC=N4

DOS

IR

Vibrations