Geometry & MOs

Info

ID:	58789
PubChem CID:	24714863
Reduced:	SN2O2C16H20 (1)
Stoich.:	AB2C2D16E20 (1)
Weight, g/mol:	347.166748
ΔH_f, kcal/mol:	-45.59
Dipole, Da:	5.01
IP(EA), eV:	-8.97(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]methyl]-1-propan-2-ylurea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)OCC2=NC(=CS2)CN(C)C(=O)C)C

DOS

IR

Vibrations