Geometry & MOs

Info

ID:	172433
PubChem CID:	75509272
Reduced:	ClON5C17H22 (1)
Stoich.:	ABC5D17E22 (1)
Weight, g/mol:	281.038961
ΔH_f, kcal/mol:	-8.71
Dipole, Da:	6.92
IP(EA), eV:	-8.93(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloro-6-methylphenyl)-3-(1,3-thiazol-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)Cl)NC(=O)NCCC2=NN=C3N2CCCCC3

DOS

IR

Vibrations