Geometry & MOs

Info

ID:	214408
PubChem CID:	84981989
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	417.125946
ΔH_f, kcal/mol:	-121.86
Dipole, Da:	2.05
IP(EA), eV:	-9.22(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,7a-dihydrobenzimidazol-2-ylidene)-3-oxo-4-(4-oxo-3-propylquinazolin-2-yl)sulfanylbutanenitrile

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC(C)CC

DOS

IR

Vibrations