Geometry & MOs

Info

ID:	336239
PubChem CID:	127255246
Reduced:	ClSN2O5C15H19 (1)
Stoich.:	ABC2D5E15F19 (1)
Weight, g/mol:	400.178693
ΔH_f, kcal/mol:	-207.89
Dipole, Da:	7.96
IP(EA), eV:	-9.2(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]-naphthalen-2-ylmethanone

Drug info:

PubChemData

Smile

COC(=O)CCNC(=O)C1=C(C=C(C=C1)N2CCCCS2(=O)=O)Cl

DOS

IR

Vibrations