Geometry & MOs

Info

ID:	191127
PubChem CID:	78108426
Reduced:	O2N4F5H17C18 (1)
Stoich.:	A2B4C5D17E18 (1)
Weight, g/mol:	381.141259
ΔH_f, kcal/mol:	-244.34
Dipole, Da:	5.66
IP(EA), eV:	-8.51(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[3-[5-amino-3-(difluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-3-methoxypyridine-2,5-diamine

Drug info:

PubChemData

Smile

C1C(=NC(CO1)(C2=C(C=CC(=C2)NC3=C(C=CC=N3)OCC(F)F)F)C(F)F)N

DOS

IR

Vibrations