Geometry & MOs

Info

ID:

306538

PubChem CID:

125086022

Reduced:

SCl3N3O4H34C35 (1)

Stoich.:

AB3C3D4E34F35 (1)

Weight, g/mol:

729.184241

ΔHf, kcal/mol:

-98.62

Dipole, Da:

4.42

IP(EA), eV:

 -9.2(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-[(2,4-dichlorophenyl)methyl-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-fluoroanilino)acetyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)[C@@H](CC2=CC=CC=C2)N(CC3=C(C=C(C=C3)Cl)Cl)C(=O)CN(C4=CC=CC=C4Cl)S(=O)(=O)C5=CC=CC=C5

DOS

IR

Vibrations