Geometry & MOs

Info

ID:	306562
PubChem CID:	125087463
Reduced:	ClSN3O4C32H38 (1)
Stoich.:	ABC3D4E32F38 (1)
Weight, g/mol:	507.195855
ΔH_f, kcal/mol:	-135.63
Dipole, Da:	9.3
IP(EA), eV:	-9.18(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3-chlorophenyl)methyl-[2-(2,5-dimethyl-N-methylsulfonylanilino)acetyl]amino]-N-(2-methylpropyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N(CC(=O)N(CC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)C(=O)NC4CCCCC4)S(=O)(=O)C

DOS

IR

Vibrations