Geometry & MOs

Info

ID:	242930
PubChem CID:	99214352
Reduced:	ClN2O5C26H31 (1)
Stoich.:	AB2C5D26E31 (1)
Weight, g/mol:	434.151158
ΔH_f, kcal/mol:	-163.7
Dipole, Da:	3.81
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-4-(methoxysulfamoyl)benzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)[C@@H]3CCCN3C(=O)C4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations