Geometry & MOs

Info

ID:	304647
PubChem CID:	124766015
Reduced:	O4H14C15 (1)
Stoich.:	A4B14C15 (1)
Weight, g/mol:	402.215472
ΔH_f, kcal/mol:	-134.48
Dipole, Da:	4.38
IP(EA), eV:	-9.9(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aS)-3-butyl-5-ethyl-1-(2-methoxyphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1[C@H]([C@H]2[C@H](CC1=O)C(=O)OC2=O)C3=CC=CC=C3

DOS

IR

Vibrations