Geometry & MOs

Info

ID:

306576

PubChem CID:

125089115

Reduced:

FSN3O5C38H42 (1)

Stoich.:

ABC3D5E38F42 (1)

Weight, g/mol:

623.281778

ΔHf, kcal/mol:

-190.83

Dipole, Da:

5.02

IP(EA), eV:

 -8.95(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=C(C=C2)C)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations