Geometry & MOs

Info

ID:	194419
PubChem CID:	78533612
Reduced:	ClNO4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	418.152872
ΔH_f, kcal/mol:	-67.62
Dipole, Da:	3.35
IP(EA), eV:	-8.5(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(furan-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1Cl)C(=NO)C=C(O2)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations