Geometry & MOs

Info

ID:

16540

PubChem CID:

472320

Reduced:

SN3O7C29H39 (1)

Stoich.:

AB3C7D29E39 (1)

Weight, g/mol:

573.250872

ΔHf, kcal/mol:

-285.19

Dipole, Da:

10.05

IP(EA), eV:

 -9.34(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(4-acetamidophenyl)sulfonyl-(cyclopentylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)O[C@H]4CCOC4)O

DOS

IR

Vibrations