Geometry & MOs

Info

ID:	157011
PubChem CID:	56405133
Reduced:	BrN2O4C20H21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	415.0354
ΔH_f, kcal/mol:	-104.14
Dipole, Da:	4.01
IP(EA), eV:	-9.29(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromophenyl)-3-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]urea

Drug info:

PubChemData

Smile

C1CN(CCC1C2OCCO2)C(=O)C3=C(N=CC=C3)OC4=CC=C(C=C4)Br

DOS

IR

Vibrations