Geometry & MOs

Info

ID:	16270
PubChem CID:	463199
Reduced:	SN3O5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	443.151492
ΔH_f, kcal/mol:	-119.39
Dipole, Da:	12.2
IP(EA), eV:	-8.23(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[cyclopropyl-(2-hydroxy-4-oxo-6-propylpyran-3-yl)methyl]phenyl]-1-methylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CCCC1=CC(=O)C(=C(O1)O)C(C2CC2)C3=CC(=CC=C3)NS(=O)(=O)C4=CN(C=N4)C

DOS

IR

Vibrations