Geometry & MOs

Info

ID:	140129
PubChem CID:	52651979
Reduced:	SO3N4C23H24 (1)
Stoich.:	AB3C4D23E24 (1)
Weight, g/mol:	436.156912
ΔH_f, kcal/mol:	-35.97
Dipole, Da:	7.75
IP(EA), eV:	-9.39(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-[(5-pentyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=CC=C2)NC(=O)[C@@H]3CC4=CC=CC=C4O3

DOS

IR

Vibrations