Geometry & MOs

Info

ID:	355940
PubChem CID:	127290792
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	395.187878
ΔH_f, kcal/mol:	-170.17
Dipole, Da:	7.06
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-3-(oxan-3-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)NC2CCCOC2)S(=O)(=O)N3CCCCCC3

DOS

IR

Vibrations