Geometry & MOs

Info

ID:	122810
PubChem CID:	50822634
Reduced:	SN3O3C16H25 (1)
Stoich.:	AB3C3D16E25 (1)
Weight, g/mol:	447.182792
ΔH_f, kcal/mol:	-118.04
Dipole, Da:	5.1
IP(EA), eV:	-9.33(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[1-(benzenesulfonyl)piperidin-4-yl]ethyl]-3-(3,5-dimethoxyphenyl)urea

Drug info:

PubChemData

Smile

CCNC(=O)NCCC1CCN(CC1)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations