Geometry & MOs

Info

ID:	242941
PubChem CID:	99214400
Reduced:	SN3O5C26H29 (1)
Stoich.:	AB3C5D26E29 (1)
Weight, g/mol:	449.144299
ΔH_f, kcal/mol:	-91.58
Dipole, Da:	5.27
IP(EA), eV:	-8.53(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(tert-butylsulfamoyl)benzoyl]piperidin-4-yl]thiophene-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)COC2=C(C=C(C=C2)/C=C\C(=O)N3CCC(CC3)NC(=O)C4=CSC=C4)OC

DOS

IR

Vibrations