Geometry & MOs

Info

ID:

306510

PubChem CID:

125084175

Reduced:

SCl2N3O4C30H35 (1)

Stoich.:

AB2C3D4E30F35 (1)

Weight, g/mol:

679.203833

ΔHf, kcal/mol:

-145.75

Dipole, Da:

8.15

IP(EA), eV:

 -9.13(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations