Geometry & MOs

Info

ID:	135301
PubChem CID:	51848416
Reduced:	SN2O5C28H32 (1)
Stoich.:	AB2C5D28E32 (1)
Weight, g/mol:	508.203193
ΔH_f, kcal/mol:	-160.5
Dipole, Da:	9.31
IP(EA), eV:	-9.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-N-[(2R)-1-[(4-methylphenyl)sulfonylmethylamino]-1-oxoheptan-2-yl]-N-phenylbenzamide

Drug info:

PubChemData

Smile

CCCCC[C@@H](C(=O)NCS(=O)(=O)C1=CC=C(C=C1)C)N(C2=CC=CC=C2)C(=O)C3=CC=CC=C3O

DOS

IR

Vibrations