Geometry & MOs

Info

ID:

306625

PubChem CID:

125092822

Reduced:

ClSN3O4C32H40 (1)

Stoich.:

ABC3D4E32F40 (1)

Weight, g/mol:

565.261043

ΔHf, kcal/mol:

-149.94

Dipole, Da:

5.65

IP(EA), eV:

 -8.77(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(3-methylphenyl)methyl-[2-(N-methylsulfonyl-4-phenoxyanilino)acetyl]amino]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](CC)N(CC1=CC=CC=C1C)C(=O)CN(C2=C(C=CC(=C2)Cl)C)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations