Geometry & MOs

Info

ID:	243788
PubChem CID:	99239618
Reduced:	S2N3O3C21H23 (1)
Stoich.:	A2B3C3D21E23 (1)
Weight, g/mol:	470.198777
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	5.11
IP(EA), eV:	-9.17(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)NS(=O)(=O)C1=CC=CC=C1CNC(=O)C2=NC(=CS2)C3=CC=CC=C3

DOS

IR

Vibrations