Geometry & MOs

Info

ID:	433208
PubChem CID:	135173345
Reduced:	SN2O4C27H30 (1)
Stoich.:	AB2C4D27E30 (1)
Weight, g/mol:	430.192629
ΔH_f, kcal/mol:	-93.94
Dipole, Da:	8.09
IP(EA), eV:	-8.61(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]cyclohexyl]methyl]methanesulfinamide

Drug info:

PubChemData

Smile

CC/C=C(\C)/C1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C3=CC(=CC=C3)C(=O)N(C)C)OC

DOS

IR

Vibrations