Geometry & MOs

Info

ID:	171970
PubChem CID:	75447681
Reduced:	BrOSF2N4H7C9 (1)
Stoich.:	ABCD2E4F7G9 (1)
Weight, g/mol:	318.166746
ΔH_f, kcal/mol:	-58.08
Dipole, Da:	2.67
IP(EA), eV:	-9.37(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2-methylpyrimidin-4-yl)methyl]-3-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)urea

Drug info:

PubChemData

Smile

C1=CN(N=C1NC(=O)C2=C(N=CS2)Br)CC(F)F

DOS

IR

Vibrations