Geometry & MOs

Info

ID:	63200
PubChem CID:	26750101
Reduced:	SN3O7C18H21 (1)
Stoich.:	AB3C7D18E21 (1)
Weight, g/mol:	410.223929
ΔH_f, kcal/mol:	-161.89
Dipole, Da:	7.55
IP(EA), eV:	-9.63(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](COC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)OC)[N+](=O)[O-]

DOS

IR

Vibrations