Geometry & MOs

Info

ID:	156916
PubChem CID:	56394865
Reduced:	O4N5C23H27 (1)
Stoich.:	A4B5C23D27 (1)
Weight, g/mol:	413.140927
ΔH_f, kcal/mol:	-52.91
Dipole, Da:	1.82
IP(EA), eV:	-8.3(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfonylmethyl)-N-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2C(=O)NCC3=CN=C(C=C3)N4CCCC4)[N+](=O)[O-]

DOS

IR

Vibrations