Geometry & MOs

Info

ID:	34181
PubChem CID:	7890214
Reduced:	SN3O6C17H19 (1)
Stoich.:	AB3C6D17E19 (1)
Weight, g/mol:	328.069536
ΔH_f, kcal/mol:	-158.88
Dipole, Da:	5.43
IP(EA), eV:	-9.0(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(7-methoxy-2-oxochromen-4-yl)methyl]-5-nitropyridin-2-one

Drug info:

PubChemData

Smile

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])C

DOS

IR

Vibrations