Geometry & MOs

Info

ID:	317809
PubChem CID:	126645826
Reduced:	ClNSF5O5C30H31 (1)
Stoich.:	ABCD5E5F30G31 (1)
Weight, g/mol:	345.101251
ΔH_f, kcal/mol:	-413.75
Dipole, Da:	7.06
IP(EA), eV:	-8.97(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 8-fluoro-4-[(4-methoxyphenyl)methyl]-3-oxo-1,4-benzoxazine-6-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CN(CCCOC1=CC(=C(C(=C1)S(=O)(=O)C)C(=O)OC)F)CC2=C(C(=CC=C2)C(F)(F)F)Cl)C3=CC=C(C=C3)F

DOS

IR

Vibrations