Geometry & MOs

Info

ID:	136963
PubChem CID:	52130771
Reduced:	N2O3C23H33 (1)
Stoich.:	A2B3C23D33 (1)
Weight, g/mol:	397.053942
ΔH_f, kcal/mol:	-73.44
Dipole, Da:	14.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.019889
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)OC(=C2)C(=O)N3CCC(CC3)CC[NH+]4CCCCCC4

DOS

IR

Vibrations