Geometry & MOs

Info

ID:	391586
PubChem CID:	135006701
Reduced:	BrNOF2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	417.208613
ΔH_f, kcal/mol:	-70.45
Dipole, Da:	4.61
IP(EA), eV:	-8.84(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[1-(2-benzylsulfanyl-6-methylpyrimidin-4-yl)oxy-3-methylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N=C(C2=CC=CC=C2)C(F)(F)Br

DOS

IR

Vibrations