Geometry & MOs

Info

ID:

306624

PubChem CID:

125092802

Reduced:

ClSN3O6C25H32 (1)

Stoich.:

ABC3D6E25F32 (1)

Weight, g/mol:

597.242806

ΔHf, kcal/mol:

-228.98

Dipole, Da:

7.27

IP(EA), eV:

 -8.74(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](C)N(CC1=CC=C(C=C1)Cl)C(=O)CN(C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

DOS

IR

Vibrations