Geometry & MOs

Info

ID:

306488

PubChem CID:

125083222

Reduced:

ClSN3O4C38H42 (1)

Stoich.:

ABC3D4E38F42 (1)

Weight, g/mol:

709.214398

ΔHf, kcal/mol:

-120.44

Dipole, Da:

6.01

IP(EA), eV:

 -8.89(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-[(3,4-dichlorophenyl)methyl-[2-(4-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCC4)C5=CC(=CC(=C5)C)C

DOS

IR

Vibrations