Geometry & MOs

Info

ID:	155162
PubChem CID:	56320888
Reduced:	SN3O4C26H27 (1)
Stoich.:	AB3C4D26E27 (1)
Weight, g/mol:	449.0618
ΔH_f, kcal/mol:	-109.55
Dipole, Da:	4.03
IP(EA), eV:	-8.85(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCC2=C(C1)C=C(S2)C(=O)NNC(=O)C3CCCN3C(=O)C4=C(C5=CC=CC=C5C=C4)O

DOS

IR

Vibrations