Geometry & MOs

Info

ID:

306537

PubChem CID:

125086021

Reduced:

FSN3O5C35H38 (1)

Stoich.:

ABC3D5E35F38 (1)

Weight, g/mol:

697.133561

ΔHf, kcal/mol:

-169.48

Dipole, Da:

4.05

IP(EA), eV:

 -8.63(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)[C@@H](CC1=CC=CC=C1)N(CC2=CC=C(C=C2)F)C(=O)CN(C3=CC(=CC=C3)OC)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations