Geometry & MOs

Info

ID:

306577

PubChem CID:

125089118

Reduced:

SN3O4C37H41 (1)

Stoich.:

AB3C4D37E41 (1)

Weight, g/mol:

647.202084

ΔHf, kcal/mol:

-100.91

Dipole, Da:

9.4

IP(EA), eV:

 -8.66(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetyl]-benzylamino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN([C@H](CC2=CC=CC=C2)C(=O)NC3CCCC3)C(=O)CN(C4=CC=CC=C4)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations