Geometry & MOs

Info

ID:

306592

PubChem CID:

125089690

Reduced:

SCl2N3O4C36H39 (1)

Stoich.:

AB2C3D4E36F39 (1)

Weight, g/mol:

625.297428

ΔHf, kcal/mol:

-117.05

Dipole, Da:

7.88

IP(EA), eV:

 -9.32(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC=CC=C2Cl)[C@H](CC3=CC=CC=C3)C(=O)NCC(C)C)C4=C(C=CC(=C4)Cl)C

DOS

IR

Vibrations