Geometry & MOs

Info

ID:	68529
PubChem CID:	46508595
Reduced:	N2O4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	417.106851
ΔH_f, kcal/mol:	-103.83
Dipole, Da:	4.34
IP(EA), eV:	-8.39(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(1,1-dioxothiolan-3-yl)-(thiophen-2-ylmethyl)amino]methyl]-6,7-dimethylchromen-2-one

Drug info:

PubChemData

Smile

CCN(CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=CC=C3OC

DOS

IR

Vibrations