Geometry & MOs

Info

ID:	401440
PubChem CID:	135051276
Reduced:	BrOS3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	422.11227
ΔH_f, kcal/mol:	-5.37
Dipole, Da:	3.46
IP(EA), eV:	-8.44(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N'-bis(4-methoxyphenyl)-2-phenylpropanedithioamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=CSS(=C2SCC(=O)C)Br

DOS

IR

Vibrations