Geometry & MOs

Info

ID:	238720
PubChem CID:	92765178
Reduced:	SO2N3C25H25 (1)
Stoich.:	AB2C3D25E25 (1)
Weight, g/mol:	469.236542
ΔH_f, kcal/mol:	30.4
Dipole, Da:	4.11
IP(EA), eV:	-8.15(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(S)-(4-ethylpiperazin-1-yl)-(4-methoxyphenyl)methyl]-1-benzofuran-3-yl]benzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)[C@@H](C2=CC=CC=C2)C3=C(C4=CC=CC=C4O3)NC(=O)C5=CC=CS5

DOS

IR

Vibrations