Geometry & MOs

Info

ID:	155077
PubChem CID:	56320653
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	457.214761
ΔH_f, kcal/mol:	-14.34
Dipole, Da:	10.06
IP(EA), eV:	-9.24(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[methyl(prop-2-enyl)sulfamoyl]phenyl]-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea

Drug info:

PubChemData

Smile

CN(CC=C)S(=O)(=O)C1=CC=C(C=C1)NC(=O)NCCC2=NN(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations