Geometry & MOs

Info

ID:	68524
PubChem CID:	46508586
Reduced:	F3N3O4C23H26 (1)
Stoich.:	A3B3C4D23E26 (1)
Weight, g/mol:	417.106851
ΔH_f, kcal/mol:	-259.52
Dipole, Da:	2.9
IP(EA), eV:	-8.88(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]methyl]-7,8-dimethylchromen-2-one

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=C(C=CC(=C3)C(F)(F)F)N4CCOCC4

DOS

IR

Vibrations