Geometry & MOs

Info

ID:	350184
PubChem CID:	127277262
Reduced:	O2N4C21H34 (1)
Stoich.:	A2B4C21D34 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-85.62
Dipole, Da:	5.81
IP(EA), eV:	-8.11(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyclohexyl-2-hydroxyethyl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)NCC(C3CCCCC3)O

DOS

IR

Vibrations