Geometry & MOs

Info

ID:	394536
PubChem CID:	135023152
Reduced:	N2O6C39H42 (1)
Stoich.:	A2B6C39D42 (1)
Weight, g/mol:	194.094294
ΔH_f, kcal/mol:	-205.61
Dipole, Da:	1.44
IP(EA), eV:	-8.7(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3S,6S)-3-methyl-7-oxobicyclo[4.2.0]oct-4-ene-3-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCC1=CC=CC=C1C[C@H](C(=O)OCC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations