Geometry & MOs

Info

ID:	35650
PubChem CID:	7980145
Reduced:	SO2N4H12C18 (1)
Stoich.:	AB2C4D12E18 (1)
Weight, g/mol:	417.194008
ΔH_f, kcal/mol:	118.97
Dipole, Da:	2.6
IP(EA), eV:	-9.49(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,3-dimethyl-2-oxobutyl) (2R,4Z)-4-(furan-2-ylmethylidene)-2-methyl-2,3-dihydro-1H-acridine-9-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2C(=N1)S/C(=C\C#N)/C3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations