Geometry & MOs

Info

ID:	335790
PubChem CID:	127254652
Reduced:	O3S3N6C14H20 (1)
Stoich.:	A3B3C6D14E20 (1)
Weight, g/mol:	346.083268
ΔH_f, kcal/mol:	-31.77
Dipole, Da:	10.21
IP(EA), eV:	-8.52(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorobenzimidazol-1-yl)ethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=C1C(=O)NCCS(=O)(=O)N2CCSCC2)N3C=NN=N3)C

DOS

IR

Vibrations