Geometry & MOs

Info

ID:	16271
PubChem CID:	463200
Reduced:	SN3O5C27H27 (1)
Stoich.:	AB3C5D27E27 (1)
Weight, g/mol:	505.167142
ΔH_f, kcal/mol:	-91.55
Dipole, Da:	14.99
IP(EA), eV:	-8.32(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[cyclopropyl-[2-hydroxy-4-oxo-6-(2-phenylethyl)pyran-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)CCC5=CC=CC=C5)O

DOS

IR

Vibrations