Geometry & MOs

Info

ID:	56472
PubChem CID:	17435785
Reduced:	SN2O4C21H32 (1)
Stoich.:	AB2C4D21E32 (1)
Weight, g/mol:	459.215806
ΔH_f, kcal/mol:	-173.83
Dipole, Da:	7.6
IP(EA), eV:	-9.29(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)N2CCCCCC2)C(=O)NCC3CCCCC3

DOS

IR

Vibrations