Geometry & MOs

Info

ID:

306527

PubChem CID:

125085625

Reduced:

SCl2N3O4C28H31 (1)

Stoich.:

AB2C3D4E28F31 (1)

Weight, g/mol:

583.227156

ΔHf, kcal/mol:

-126.49

Dipole, Da:

4.5

IP(EA), eV:

 -8.64(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations