Geometry & MOs

Info

ID:	49286
PubChem CID:	11532652
Reduced:	FNSO5C24H24 (1)
Stoich.:	ABCD5E24F24 (1)
Weight, g/mol:	457.167142
ΔH_f, kcal/mol:	-194.41
Dipole, Da:	9.63
IP(EA), eV:	-9.45(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,3-dimethyl-4,7-dioxo-1-benzothiophen-5-yl]-2-methoxy-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)COC3=CC(=CC=C3)F

DOS

IR

Vibrations