Geometry & MOs

Info

ID:	298607
PubChem CID:	117651743
Reduced:	BrClFO4N5H12C21 (1)
Stoich.:	ABCD4E5F12G21 (1)
Weight, g/mol:	412.115853
ΔH_f, kcal/mol:	16.45
Dipole, Da:	1.02
IP(EA), eV:	-9.92(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(trifluoromethyl)pyridin-2-yl] N-[3-[(4S)-2-amino-4-methyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluorophenyl]carbamate

Drug info:

PubChemData

Smile

COC(=O)ON1C2=C(C=CN=N2)C(=N1)CC3=C(C(=C(C=C3)Br)OC4=CC(=CC(=C4)C#N)Cl)F

DOS

IR

Vibrations