Geometry & MOs

Info

ID:	145348
PubChem CID:	53505242
Reduced:	ClSN3O3C14H16 (1)
Stoich.:	ABC3D3E14F16 (1)
Weight, g/mol:	293.131031
ΔH_f, kcal/mol:	-86.04
Dipole, Da:	6.96
IP(EA), eV:	-9.46(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-[(3-methylthiophen-2-yl)methyl]-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea

Drug info:

PubChemData

Smile

CN(CC1=CC(=O)N2C=C(C=CC2=N1)Cl)C3CCS(=O)(=O)C3

DOS

IR

Vibrations