Geometry & MOs

Info

ID:	342883
PubChem CID:	127266046
Reduced:	N2O3F4C12H14 (1)
Stoich.:	A2B3C4D12E14 (1)
Weight, g/mol:	347.06638
ΔH_f, kcal/mol:	-294.79
Dipole, Da:	2.75
IP(EA), eV:	-9.95(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-methoxypyrimidin-4-yl)-3-[2,2,2-trifluoro-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea

Drug info:

PubChemData

Smile

CC(C)(CO)ONC(=O)NC1=C(C=C(C=C1)F)C(F)(F)F

DOS

IR

Vibrations