Geometry & MOs

Info

ID:	179421
PubChem CID:	76481777
Reduced:	SO5C20H32 (1)
Stoich.:	AB5C20D32 (1)
Weight, g/mol:	422.94049
ΔH_f, kcal/mol:	-197.58
Dipole, Da:	3.86
IP(EA), eV:	-8.61(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-dibromo-3-(4,5,6,7-tetrahydro-3aH-benzimidazol-2-ylmethylidene)-1H-indol-2-one

Drug info:

PubChemData

Smile

CCOCC=CCS(=O)CC1C2CCC(C1CC=CCCCC(=O)O)O2

DOS

IR

Vibrations