Geometry & MOs

Info

ID:	136692
PubChem CID:	52086176
Reduced:	FN2O4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	358.132885
ΔH_f, kcal/mol:	-162.99
Dipole, Da:	4.34
IP(EA), eV:	-8.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenoxy)-N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC2=C(C=C1)O[C@@H](C(=O)N2)C)OC3=CC=CC=C3F

DOS

IR

Vibrations