Geometry & MOs

Info

ID:	422158
PubChem CID:	135117309
Reduced:	ON4C17H22 (1)
Stoich.:	AB4C17D22 (1)
Weight, g/mol:	346.099871
ΔH_f, kcal/mol:	-10.34
Dipole, Da:	2.23
IP(EA), eV:	-8.54(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-4-fluoro-3-hydroxybenzamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=C1)NCCCNC(=O)C2=C(N=C(C=C2)C)C

DOS

IR

Vibrations