Geometry & MOs

Info

ID:	280014
PubChem CID:	103846361
Reduced:	BrOF3N3H9C11 (1)
Stoich.:	ABC3D3E9F11 (1)
Weight, g/mol:	312.103145
ΔH_f, kcal/mol:	-119.83
Dipole, Da:	6.88
IP(EA), eV:	-9.07(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methoxy-3-[(2-methyloxolan-3-yl)sulfonylmethyl]phenyl]ethanone

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CNC2=C(C=C(C=C2)C(F)(F)F)Br

DOS

IR

Vibrations