Geometry & MOs

Info

ID:	237061
PubChem CID:	92717116
Reduced:	ON4C24H30 (1)
Stoich.:	AB4C24D30 (1)
Weight, g/mol:	456.132136
ΔH_f, kcal/mol:	7.17
Dipole, Da:	6.78
IP(EA), eV:	-8.64(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[(3S)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C[C@H](CC2=O)C3=NC4=CC=CC=C4N3CCCN(C)C)C

DOS

IR

Vibrations