Geometry & MOs

Info

ID:	16272
PubChem CID:	463201
Reduced:	SN3O7C25H31 (1)
Stoich.:	AB3C7D25E31 (1)
Weight, g/mol:	517.188272
ΔH_f, kcal/mol:	-196.51
Dipole, Da:	11.56
IP(EA), eV:	-8.29(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[cyclopropyl-[2-hydroxy-6-[3-(2-methoxyethoxy)propyl]-4-oxopyran-3-yl]methyl]phenyl]-1-methylimidazole-4-sulfonamide

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)NC2=CC=CC(=C2)C(C3CC3)C4=C(OC(=CC4=O)CCCOCCOC)O

DOS

IR

Vibrations