Geometry & MOs

Info

ID:	335470
PubChem CID:	127254332
Reduced:	O4N5H19C22 (1)
Stoich.:	A4B5C19D22 (1)
Weight, g/mol:	444.135508
ΔH_f, kcal/mol:	-45.51
Dipole, Da:	2.24
IP(EA), eV:	-9.33(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-4-[(4-methylsulfonylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]-(3-methoxyphenyl)methanone

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCNC(=O)CN2C3C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations