Geometry & MOs

Info

ID:	31879
PubChem CID:	3722210
Reduced:	O2S3C12H24 (1)
Stoich.:	A2B3C12D24 (1)
Weight, g/mol:	456.107854
ΔH_f, kcal/mol:	-121.43
Dipole, Da:	4.67
IP(EA), eV:	-9.0(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,5-dimethyl-3-[(1-oxo-[1,3]thiazolo[3,2-a]benzimidazol-2-ylidene)methyl]pyrrol-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCSC1CS(=O)(=O)CC1SCCCC

DOS

IR

Vibrations