Geometry & MOs

Info

ID:	367500
PubChem CID:	127324832
Reduced:	S2N3O3C15H17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	338.141262
ΔH_f, kcal/mol:	-73.13
Dipole, Da:	6.8
IP(EA), eV:	-9.21(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothian-3-yl)-3-(6-pyrrolidin-1-ylpyridin-3-yl)urea

Drug info:

PubChemData

Smile

C1CC(CS(=O)(=O)C1)NC(=O)NC2=NC=C(S2)C3=CC=CC=C3

DOS

IR

Vibrations