Geometry & MOs

Info

ID:

306596

PubChem CID:

125089792

Reduced:

SCl2N3O5C38H41 (1)

Stoich.:

AB2C3D5E38F41 (1)

Weight, g/mol:

603.237862

ΔHf, kcal/mol:

-150.45

Dipole, Da:

3.69

IP(EA), eV:

 -8.68(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[(4-methylphenyl)methyl-[2-[N-(4-methylphenyl)sulfonyl-3-(trifluoromethyl)anilino]acetyl]amino]propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N(CC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations