Geometry & MOs

Info

ID:	221785
PubChem CID:	85286141
Reduced:	ION3S3C26H28 (1)
Stoich.:	ABC3D3E26F28 (1)
Weight, g/mol:	625.077605
ΔH_f, kcal/mol:	47.41
Dipole, Da:	10.25
IP(EA), eV:	-7.8(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCN1CCSC1=CC=C2C(=O)[N+](=C(S2)C=C3N(C4=C(S3)C5=CC=CC=C5C=C4)CC)CC.[I-]

DOS

IR

Vibrations