Geometry & MOs

Info

ID:	157162
PubChem CID:	56422209
Reduced:	SO3N5H21C22 (1)
Stoich.:	AB3C5D21E22 (1)
Weight, g/mol:	498.193691
ΔH_f, kcal/mol:	20.78
Dipole, Da:	2.95
IP(EA), eV:	-9.14(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(1-methyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)propanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NOC(=N2)CCC(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations