Geometry & MOs

Info

ID:	326901
PubChem CID:	126688604
Reduced:	F2N4O4C23H24 (1)
Stoich.:	A2B4C4D23E24 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-200.82
Dipole, Da:	3.96
IP(EA), eV:	-8.82(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-[2-amino-4-(2-oxo-1,3-oxazinan-3-yl)anilino]butyl] acetate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1N3CCOCC3=O)N=C(N2CCCO)NC(=O)C4=CC=CC(=C4)C(F)F

DOS

IR

Vibrations