Geometry & MOs

Info

ID:	74015
PubChem CID:	48421356
Reduced:	N3O3C17H21 (1)
Stoich.:	A3B3C17D21 (1)
Weight, g/mol:	279.104148
ΔH_f, kcal/mol:	-72.0
Dipole, Da:	4.43
IP(EA), eV:	-9.5(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-benzothiazol-2-yl)-1-ethyl-1-(2-hydroxypropyl)urea

Drug info:

PubChemData

Smile

CCN(CC(C)O)C(=O)C(=O)C1=NC=CN1CC2=CC=CC=C2

DOS

IR

Vibrations