Geometry & MOs

Info

ID:

16555

PubChem CID:

472571

Reduced:

SN3O7C31H41 (1)

Stoich.:

AB3C7D31E41 (1)

Weight, g/mol:

599.266522

ΔHf, kcal/mol:

-283.34

Dipole, Da:

11.39

IP(EA), eV:

 -9.17(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S)-oxolan-3-yl] N-[(2S,3R)-4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl-(cyclopentylmethyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)S(=O)(=O)N(CC3CCCC3)C[C@H]([C@H](CC4=CC=CC=C4)NC(=O)O[C@H]5CCOC5)O

DOS

IR

Vibrations