Geometry & MOs

Info

ID:

306487

PubChem CID:

125083219

Reduced:

FSN3O6C31H36 (1)

Stoich.:

ABC3D6E31F36 (1)

Weight, g/mol:

671.258456

ΔHf, kcal/mol:

-240.01

Dipole, Da:

8.07

IP(EA), eV:

 -8.83(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[(3-chlorophenyl)methyl-[2-(3,5-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)N(CC1=CC=C(C=C1)F)[C@H](CC2=CC=CC=C2)C(=O)NC(C)(C)C)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations