Geometry & MOs

Info

ID:

306652

PubChem CID:

125093478

Reduced:

BrSN3O5C31H38 (1)

Stoich.:

ABC3D5E31F38 (1)

Weight, g/mol:

589.156883

ΔHf, kcal/mol:

-169.61

Dipole, Da:

3.26

IP(EA), eV:

 -8.76(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)N(CC2=CC=C(C=C2)C)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations