Geometry & MOs

Info

ID:	343709
PubChem CID:	127266885
Reduced:	SN2O6C14H18 (1)
Stoich.:	AB2C6D14E18 (1)
Weight, g/mol:	347.122501
ΔH_f, kcal/mol:	-148.09
Dipole, Da:	4.69
IP(EA), eV:	-9.63(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methoxy-2-phenylpropane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1CCCCN1S(=O)(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations