Geometry & MOs

Info

ID:	135300
PubChem CID:	51848415
Reduced:	N2O3C24H32 (1)
Stoich.:	A2B3C24D32 (1)
Weight, g/mol:	508.203193
ΔH_f, kcal/mol:	-126.82
Dipole, Da:	4.6
IP(EA), eV:	-9.18(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC[C@H](C(=O)NC(C)(C)C)N(C1=CC=CC=C1)C(=O)C2=CC=CC=C2O

DOS

IR

Vibrations