Geometry & MOs

Info

ID:	306960
PubChem CID:	125264441
Reduced:	SO2N5C15H25 (1)
Stoich.:	AB2C5D15E25 (1)
Weight, g/mol:	317.210327
ΔH_f, kcal/mol:	-18.82
Dipole, Da:	4.05
IP(EA), eV:	-9.22(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3S,3aS,7aS)-1-[(3-methylphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-3-yl]-1,1-dimethylurea

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CC[C@@H]2[C@H](C1)C[C@H](N2CC3CC3)CN4C=NC=N4

DOS

IR

Vibrations