Geometry & MOs

Info

ID:	372491
PubChem CID:	131298596
Reduced:	NOSF2H9C11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	349.93401
ΔH_f, kcal/mol:	-94.38
Dipole, Da:	0.55
IP(EA), eV:	-9.23(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-1-[4-(bromomethyl)-2-ethoxyphenyl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)C2=C(C=C(C=C2)F)F)CO

DOS

IR

Vibrations