Geometry & MOs

Info

ID:	69558
PubChem CID:	47193738
Reduced:	IO2N3C14H14 (1)
Stoich.:	AB2C3D14E14 (1)
Weight, g/mol:	386.99023
ΔH_f, kcal/mol:	-12.7
Dipole, Da:	5.49
IP(EA), eV:	-8.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-iodophenyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]urea

Drug info:

PubChemData

Smile

COC1=C(C=CC=N1)CNC(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations