Geometry & MOs

Info

ID:	367109
PubChem CID:	127323204
Reduced:	SN4O4C17H22 (1)
Stoich.:	AB4C4D17E22 (1)
Weight, g/mol:	373.200156
ΔH_f, kcal/mol:	-117.15
Dipole, Da:	4.51
IP(EA), eV:	-9.36(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)-3-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylurea

Drug info:

PubChemData

Smile

C1CC(CN(C1)S(=O)(=O)C2=CNC3=C2C=CC=N3)C(=O)N4CCOCC4

DOS

IR

Vibrations