Geometry & MOs

Info

ID:	193519
PubChem CID:	78403767
Reduced:	SO2N3C17H25 (1)
Stoich.:	AB2C3D17E25 (1)
Weight, g/mol:	444.216141
ΔH_f, kcal/mol:	-48.88
Dipole, Da:	6.96
IP(EA), eV:	-8.36(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylidene)-3-cyano-2-oxopropyl] 7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline-11-carboxylate

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)C1C(=C2C=CC=CC2=O)NSN1

DOS

IR

Vibrations