Geometry & MOs

Info

ID:	267348
PubChem CID:	103581934
Reduced:	ClN2O2H13C16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	214.052447
ΔH_f, kcal/mol:	-14.87
Dipole, Da:	7.89
IP(EA), eV:	-8.95(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxolan-3-yl)-3-(thiadiazol-5-yl)urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NC2=CC(=CC=C2)OCC#N)Cl

DOS

IR

Vibrations