Geometry & MOs

Info

ID:	357731
PubChem CID:	127294405
Reduced:	FN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	334.146347
ΔH_f, kcal/mol:	-159.71
Dipole, Da:	3.25
IP(EA), eV:	-9.44(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1COCCC1(C2=CC=C(C=C2)F)NC(=O)N3CCOCC3

DOS

IR

Vibrations