Geometry & MOs

Info

ID:	63202
PubChem CID:	26750105
Reduced:	SN3O6C18H21 (1)
Stoich.:	AB3C6D18E21 (1)
Weight, g/mol:	400.065984
ΔH_f, kcal/mol:	-133.11
Dipole, Da:	4.44
IP(EA), eV:	-9.53(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-fluoro-N-[4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]phenyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)S(=O)(=O)N[C@@H](C)COC

DOS

IR

Vibrations