Geometry & MOs

Info

ID:	136691
PubChem CID:	52086089
Reduced:	N2S2O3C20H22 (1)
Stoich.:	A2B2C3D20E22 (1)
Weight, g/mol:	358.132885
ΔH_f, kcal/mol:	-47.83
Dipole, Da:	5.67
IP(EA), eV:	-8.51(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)O[C@@H](C)C(=O)NCC2=CSC(=S)N2CC3=CC=CO3)C

DOS

IR

Vibrations