Geometry & MOs

Info

ID:	320664
PubChem CID:	126662426
Reduced:	BrFNO4H11C12 (1)
Stoich.:	ABCD4E11F12 (1)
Weight, g/mol:	580.104655
ΔH_f, kcal/mol:	-188.8
Dipole, Da:	2.09
IP(EA), eV:	-9.24(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[6-[(E)-2-(2-chloro-6-fluorophenyl)prop-1-enyl]-8-fluoro-4-(4-fluoro-3-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]acetamide

Drug info:

PubChemData

Smile

COC(=O)CCC1C(=O)NC2=CC(=C(C=C2O1)F)Br

DOS

IR

Vibrations