Geometry & MOs

Info

ID:	185879
PubChem CID:	77364847
Reduced:	N2O3C8H12 (2)
Stoich.:	A2B3C8D12 (2)
Weight, g/mol:	408.087889
ΔH_f, kcal/mol:	-252.4
Dipole, Da:	7.99
IP(EA), eV:	-9.58(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-methoxy-2-methyl-4-methylsulfonylbenzoyl)-2-methyl-3,5-dioxobicyclo[4.1.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NC2C(N1CC(C)(C)C)C(=O)NC(=O)N2COC(=O)CCC(=O)O

DOS

IR

Vibrations