Geometry & MOs

Info

ID:

306532

PubChem CID:

125085905

Reduced:

SCl2N3O4C38H41 (1)

Stoich.:

AB2C3D4E38F41 (1)

Weight, g/mol:

639.313078

ΔHf, kcal/mol:

-121.7

Dipole, Da:

3.43

IP(EA), eV:

 -8.73(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations