Geometry & MOs

Info

ID:

16552

PubChem CID:

472541

Reduced:

SN3O6C28H35 (1)

Stoich.:

AB3C6D28E35 (1)

Weight, g/mol:

541.224657

ΔHf, kcal/mol:

-198.61

Dipole, Da:

3.34

IP(EA), eV:

 -9.31(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C1)CN(C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)O[C@@H]3CCOC3)O)S(=O)(=O)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations