Geometry & MOs

Info

ID:	142701
PubChem CID:	53078577
Reduced:	S2N4O4C21H30 (1)
Stoich.:	A2B4C4D21E30 (1)
Weight, g/mol:	448.120526
ΔH_f, kcal/mol:	-108.58
Dipole, Da:	7.57
IP(EA), eV:	-9.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[5-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]carbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CC(=C(S2)C)S(=O)(=O)N3CCC(CC3)C(=O)N4CCCCCC4

DOS

IR

Vibrations