Geometry & MOs

Info

ID:

306494

PubChem CID:

125083857

Reduced:

BrSN3O6C32H38 (1)

Stoich.:

ABC3D6E32F38 (1)

Weight, g/mol:

669.269499

ΔHf, kcal/mol:

-187.49

Dipole, Da:

3.8

IP(EA), eV:

 -8.94(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)N(CC(=O)N(CC2=CC=C(C=C2)Br)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)S(=O)(=O)C

DOS

IR

Vibrations