Geometry & MOs

Info

ID:	138387
PubChem CID:	52358345
Reduced:	OSN3C15H25 (1)
Stoich.:	ABC3D15E25 (1)
Weight, g/mol:	345.096955
ΔH_f, kcal/mol:	-42.37
Dipole, Da:	3.16
IP(EA), eV:	-8.77(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(1,3-dithian-2-yl)phenyl]-3-(pyridin-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)NCC1=CC=CS1)N2CCCCC2

DOS

IR

Vibrations