Geometry & MOs

Info

ID:	155593
PubChem CID:	56366146
Reduced:	O3N4H24C25 (1)
Stoich.:	A3B4C24D25 (1)
Weight, g/mol:	484.189275
ΔH_f, kcal/mol:	-42.87
Dipole, Da:	6.67
IP(EA), eV:	-8.71(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]propanamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=C(C3=CC=CC=C3N2)CCC(=O)NCC(=O)NC4=CN=CC=C4

DOS

IR

Vibrations