Geometry & MOs

Info

ID:	304806
PubChem CID:	124766192
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-125.92
Dipole, Da:	5.4
IP(EA), eV:	-9.01(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=CC=C4)C(=O)OCC

DOS

IR

Vibrations