Geometry & MOs

Info

ID:	347325
PubChem CID:	127272174
Reduced:	SO3N4C19H24 (1)
Stoich.:	AB3C4D19E24 (1)
Weight, g/mol:	360.161997
ΔH_f, kcal/mol:	-81.53
Dipole, Da:	4.31
IP(EA), eV:	-8.46(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclopropylpiperidin-4-yl)-3-(5-methoxy-2-methyl-1,3-benzothiazol-6-yl)urea

Drug info:

PubChemData

Smile

CC1=NC2=CC(=C(C=C2S1)NC(=O)N3CCC(CC3)NC(=O)C4CC4)OC

DOS

IR

Vibrations