Geometry & MOs

Info

ID:	304884
PubChem CID:	124766273
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	387.215806
ΔH_f, kcal/mol:	-166.04
Dipole, Da:	3.94
IP(EA), eV:	-8.45(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aR)-1-[4-(dimethylamino)phenyl]-3,5-diethyl-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=CC(=C3)C)C(=O)N(C2=O)C)CCSC

DOS

IR

Vibrations