Geometry & MOs

Info

ID:	36019
PubChem CID:	7980645
Reduced:	FNSO3H22C23 (1)
Stoich.:	ABCD3E22F23 (1)
Weight, g/mol:	243.089543
ΔH_f, kcal/mol:	-100.76
Dipole, Da:	4.97
IP(EA), eV:	-8.32(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(methylamino)-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=O)CCSC3=CC=C(C=C3)F

DOS

IR

Vibrations