Geometry & MOs

Info

ID:	230159
PubChem CID:	87570325
Reduced:	IOF5C7H8 (1)
Stoich.:	ABC5D7E8 (1)
Weight, g/mol:	439.06565
ΔH_f, kcal/mol:	-291.19
Dipole, Da:	2.65
IP(EA), eV:	-10.33(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethyl-3-fluoro-4-methylsulfonylbenzoyl)-3,5-dihydro-2H-1,4-benzoxazepine-7-carbonyl chloride

Drug info:

PubChemData

Smile

CCC(/C(=C/C(C(F)(F)F)(F)F)/I)O

DOS

IR

Vibrations