Geometry & MOs

Info

ID:	245465
PubChem CID:	99445091
Reduced:	FN2O4H19C22 (1)
Stoich.:	AB2C4D19E22 (1)
Weight, g/mol:	394.132885
ΔH_f, kcal/mol:	-118.79
Dipole, Da:	3.6
IP(EA), eV:	-8.67(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluorophenyl)-N-(furan-2-ylmethyl)-2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N(C2=CC=CC=C2O1)CC(=O)N(CC3=CC=CO3)C4=CC=CC=C4F

DOS

IR

Vibrations