Geometry & MOs

Info

ID:	65065
PubChem CID:	29204417
Reduced:	FION3H15C18 (1)
Stoich.:	ABCD3E15F18 (1)
Weight, g/mol:	407.99709
ΔH_f, kcal/mol:	3.22
Dipole, Da:	3.91
IP(EA), eV:	-8.81(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-iodophenyl)-2-[(2S)-3-oxo-4H-1,4-benzoxazin-2-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)NC3=CC=C(C=C3)I

DOS

IR

Vibrations