Geometry & MOs

Info

ID:

306561

PubChem CID:

125087462

Reduced:

SCl2N3O5C35H37 (1)

Stoich.:

AB2C3D5E35F37 (1)

Weight, g/mol:

595.227156

ΔHf, kcal/mol:

-141.98

Dipole, Da:

8.57

IP(EA), eV:

 -9.08(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[benzyl-[2-(3-chloro-2-methyl-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)[C@@H](CC1=CC=CC=C1)N(CC2=CC=CC=C2Cl)C(=O)CN(C3=CC(=CC=C3)Cl)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations