Geometry & MOs

Info

ID:	127138
PubChem CID:	50992193
Reduced:	O4N6H16C17 (1)
Stoich.:	A4B6C16D17 (1)
Weight, g/mol:	385.104954
ΔH_f, kcal/mol:	-54.56
Dipole, Da:	12.47
IP(EA), eV:	-9.07(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(3R)-5-amino-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(trifluoromethyl)furan-3-carboxamide

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)N=C(N3)N)N=C2C4=CC=C(C=C4)C#N)CO)O

DOS

IR

Vibrations