Geometry & MOs

Info

ID:	191126
PubChem CID:	78108425
Reduced:	O2F3N8C25H27 (1)
Stoich.:	A2B3C8D25E27 (1)
Weight, g/mol:	416.127167
ΔH_f, kcal/mol:	-135.5
Dipole, Da:	10.08
IP(EA), eV:	-8.89(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-[[3-(2,2-difluoroethoxy)pyridin-2-yl]amino]-2-fluorophenyl]-5-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-amine

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NCC(F)(F)F)NC1=CN=CC(=C1)C2=CNC3=C2C=C(C=N3)C(=O)NCC4=CN(N=C4)C

DOS

IR

Vibrations