Geometry & MOs

Info

ID:	342667
PubChem CID:	127265827
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	343.031289
ΔH_f, kcal/mol:	-115.39
Dipole, Da:	1.04
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1R)-1-(2,4-dichlorophenyl)ethyl]-1-methyl-1-(1,3-thiazol-4-ylmethyl)urea

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=CC=CC3=C2NC4=CC=CC=C4C3=O)S(=O)(=O)N

DOS

IR

Vibrations