Geometry & MOs

Info

ID:	157797
PubChem CID:	56437294
Reduced:	ON6C26H28 (1)
Stoich.:	AB6C26D28 (1)
Weight, g/mol:	472.168145
ΔH_f, kcal/mol:	92.13
Dipole, Da:	7.92
IP(EA), eV:	-8.41(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyano-5-(1,3-dimethylbenzimidazol-2-ylidene)-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-4-oxopentanamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C2=NC=C(C=C2)CNCC3=CN(N=C3C4=CC=NC=C4)C5=CC=CC=C5

DOS

IR

Vibrations