Geometry & MOs

Info

ID:

306575

PubChem CID:

125089084

Reduced:

ClSN3O6C32H36 (1)

Stoich.:

ABC3D6E32F36 (1)

Weight, g/mol:

671.282921

ΔHf, kcal/mol:

-192.86

Dipole, Da:

4.02

IP(EA), eV:

 -8.67(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCS(=O)(=O)N(CC(=O)N(CC1=CC=C(C=C1)Cl)[C@H](CC2=CC=CC=C2)C(=O)NC3CCCC3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations