Geometry & MOs

Info

ID:

306604

PubChem CID:

125092297

Reduced:

ClSN3O4C25H34 (1)

Stoich.:

ABC3D4E25F34 (1)

Weight, g/mol:

530.292677

ΔHf, kcal/mol:

-170.52

Dipole, Da:

4.36

IP(EA), eV:

 -9.1(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[[2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]acetyl]-[(3-methylphenyl)methyl]amino]butanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CC1=CC=C(C=C1)C)C(=O)CN(C2=C(C(=CC=C2)Cl)C)S(=O)(=O)C

DOS

IR

Vibrations