Geometry & MOs

Info

ID:	156964
PubChem CID:	56394978
Reduced:	N2O2C11H13 (2)
Stoich.:	A2B2C11D13 (2)
Weight, g/mol:	409.109627
ΔH_f, kcal/mol:	-51.58
Dipole, Da:	2.06
IP(EA), eV:	-8.76(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCCC2C(=O)NCCN(C)C3=CC=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations