Geometry & MOs

Info

ID:	304648
PubChem CID:	124766016
Reduced:	N2O5C22H30 (1)
Stoich.:	A2B5C22D30 (1)
Weight, g/mol:	402.215472
ΔH_f, kcal/mol:	-211.4
Dipole, Da:	3.98
IP(EA), eV:	-8.96(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aR)-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

CCCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CC=C3OC)C(=O)N(C2=O)CC)C(=O)OCC

DOS

IR

Vibrations