Geometry & MOs

Info

ID:	324959
PubChem CID:	126678936
Reduced:	FN3C21H22 (1)
Stoich.:	AB3C21D22 (1)
Weight, g/mol:	357.94299
ΔH_f, kcal/mol:	0.54
Dipole, Da:	4.08
IP(EA), eV:	-8.1(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzylsulfonyl-2-(bromomethyl)-4-chlorobenzene

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC=C(C=C2)CCC3=CC(=NC(=C3N)C)N)F

DOS

IR

Vibrations