Geometry & MOs

Info

ID:	301969
PubChem CID:	123105892
Reduced:	BrN2S2O4C18H21 (1)
Stoich.:	AB2C2D4E18F21 (1)
Weight, g/mol:	384.01835
ΔH_f, kcal/mol:	-119.88
Dipole, Da:	4.87
IP(EA), eV:	-9.11(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzhydrylsulfinylmethyl)-4-bromobenzene

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)CS(=O)CC2=CC=C(C=C2)Br)C(=O)OCC(C)C

DOS

IR

Vibrations