Geometry & MOs

Info

ID:

306519

PubChem CID:

125085062

Reduced:

SCl3N3O4C24H30 (1)

Stoich.:

AB3C3D4E24F30 (1)

Weight, g/mol:

579.216985

ΔHf, kcal/mol:

-172.5

Dipole, Da:

5.33

IP(EA), eV:

 -9.48(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[(2-chlorophenyl)methyl-[4-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]butanoyl]amino]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)N(CC(=O)N(CC2=C(C=C(C=C2)Cl)Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)C

DOS

IR

Vibrations