Geometry & MOs

Info

ID:	347021
PubChem CID:	127271525
Reduced:	SO3N6C11H20 (1)
Stoich.:	AB3C6D11E20 (1)
Weight, g/mol:	390.215472
ΔH_f, kcal/mol:	-89.88
Dipole, Da:	3.72
IP(EA), eV:	-9.6(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(1,3-benzodioxol-5-yl)oxan-4-yl]methyl]-3-[1-(oxolan-2-yl)propan-2-yl]urea

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC(C1)NC(=O)NCCN2C=NC=N2

DOS

IR

Vibrations