Geometry & MOs

Info

ID:	237038
PubChem CID:	92717044
Reduced:	ClFNO3H19C23 (1)
Stoich.:	ABCD3E19F23 (1)
Weight, g/mol:	432.132136
ΔH_f, kcal/mol:	-115.39
Dipole, Da:	4.19
IP(EA), eV:	-9.63(-0.5)
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] 3-methyl-4-nitrobenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)CC3=CC=C(C=C3)F

DOS

IR

Vibrations