Geometry & MOs

Info

ID:	304955
PubChem CID:	124766356
Reduced:	N2O6C23H26 (1)
Stoich.:	A2B6C23D26 (1)
Weight, g/mol:	346.152872
ΔH_f, kcal/mol:	-164.61
Dipole, Da:	1.73
IP(EA), eV:	-8.23(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC(=C(C=C1)OCC)NC(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)NCC4=CC=CO4)O3

DOS

IR

Vibrations