Geometry & MOs

Info

ID:	304939
PubChem CID:	124766334
Reduced:	N2O5C19H24 (1)
Stoich.:	A2B5C19D24 (1)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	-192.94
Dipole, Da:	0.8
IP(EA), eV:	-9.31(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aR)-1-(4-hydroxyphenyl)-5-methyl-4,6-dioxo-3-propyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations