Geometry & MOs

Info

ID:	280553
PubChem CID:	103849874
Reduced:	ON3C6H7 (2)
Stoich.:	AB3C6D7 (2)
Weight, g/mol:	250.113984
ΔH_f, kcal/mol:	-24.97
Dipole, Da:	6.65
IP(EA), eV:	-8.94(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzyl-1-methyl-1-(thiolan-3-yl)urea

Drug info:

PubChemData

Smile

CCN1C2=C(C(=O)NC1=O)NC(=N2)C3=CN(N=C3C)C

DOS

IR

Vibrations