Geometry & MOs

Info

ID:	148163
PubChem CID:	53787825
Reduced:	BrNC25H28 (1)
Stoich.:	ABC25D28 (1)
Weight, g/mol:	244.005029
ΔH_f, kcal/mol:	42.45
Dipole, Da:	2.25
IP(EA), eV:	-8.59(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-prop-1-enyl-3-sulfanylphenoxy)methanedithiol

Drug info:

PubChemData

Smile

C1CCC(C1)N2CCC(CC2)C3C4=C(C=CC5=CC=CC=C35)C=C(C=C4)Br

DOS

IR

Vibrations