Geometry & MOs

Info

ID:	36697
PubChem CID:	8011381
Reduced:	SN3O4C21H21 (1)
Stoich.:	AB3C4D21E21 (1)
Weight, g/mol:	377.119798
ΔH_f, kcal/mol:	-61.51
Dipole, Da:	8.18
IP(EA), eV:	-8.8(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-one

Drug info:

PubChemData

Smile

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(S1)N2CCOCC2)C3=CC=CC=C3

DOS

IR

Vibrations