Geometry & MOs

Info

ID:	393978
PubChem CID:	135022081
Reduced:	ClNOSH12C17 (1)
Stoich.:	ABCDE12F17 (1)
Weight, g/mol:	390.147593
ΔH_f, kcal/mol:	53.55
Dipole, Da:	4.22
IP(EA), eV:	-8.54(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,2-bis[(4-methylphenyl)sulfanyl]ethenyl]-4-propan-2-ylbenzene

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(C=C2)Cl)S(=O)C3=CC=CC=N3

DOS

IR

Vibrations