Geometry & MOs

Info

ID:	183694
PubChem CID:	77058954
Reduced:	BN2O5C16H23 (1)
Stoich.:	AB2C5D16E23 (1)
Weight, g/mol:	287.082744
ΔH_f, kcal/mol:	-195.31
Dipole, Da:	6.63
IP(EA), eV:	-8.71(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

DOS

IR

Vibrations