Geometry & MOs

Info

ID:	171577
PubChem CID:	75396463
Reduced:	FNO2C11H13 (2)
Stoich.:	ABC2D11E13 (2)
Weight, g/mol:	315.090229
ΔH_f, kcal/mol:	-236.64
Dipole, Da:	4.61
IP(EA), eV:	-8.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(5-pyridin-2-yl-1H-pyrazol-4-yl)urea

Drug info:

PubChemData

Smile

CC(CN1CCOCC1)C(=O)NC2=CC(=C(C=C2)OC(F)F)C3=CC=C(C=C3)OC

DOS

IR

Vibrations