Geometry & MOs

Info

ID:	135073
PubChem CID:	51808771
Reduced:	NSO5C21H29 (1)
Stoich.:	ABC5D21E29 (1)
Weight, g/mol:	440.140593
ΔH_f, kcal/mol:	-217.79
Dipole, Da:	4.2
IP(EA), eV:	-8.7(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide

Drug info:

PubChemData

Smile

CSCC[C@H](CO)NC(=O)COC1=CC2=C(C=C1)C(=O)CC3(O2)CCCCC3

DOS

IR

Vibrations