Geometry & MOs

Info

ID:	304776
PubChem CID:	124766161
Reduced:	N2O5C15H18 (1)
Stoich.:	A2B5C15D18 (1)
Weight, g/mol:	434.220557
ΔH_f, kcal/mol:	-187.12
Dipole, Da:	3.61
IP(EA), eV:	-9.64(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CO3)C(=O)N(C2=O)C)C

DOS

IR

Vibrations