Geometry & MOs

Info

ID:

306607

PubChem CID:

125092319

Reduced:

ClSN3O5C30H36 (1)

Stoich.:

ABC3D5E30F36 (1)

Weight, g/mol:

653.03788

ΔHf, kcal/mol:

-173.69

Dipole, Da:

4.15

IP(EA), eV:

 -8.81(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(3,4-dichlorophenyl)methyl-[2-(4-iodo-N-methylsulfonylanilino)acetyl]amino]butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CC1=CC=CC=C1Cl)C(=O)CN(C2=CC=C(C=C2)OC)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations