Geometry & MOs

Info

ID:	78271
PubChem CID:	49684243
Reduced:	SN3O4C22H31 (1)
Stoich.:	AB3C4D22E31 (1)
Weight, g/mol:	433.203528
ΔH_f, kcal/mol:	-145.6
Dipole, Da:	6.73
IP(EA), eV:	-8.58(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[1-[(2,5-dimethylfuran-3-yl)methyl]piperidin-4-yl]methylsulfamoyl]-3-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)NCC2CCN(CC2)CC3=C(OC(=C3)C)C

DOS

IR

Vibrations