Geometry & MOs

Info

ID:	304788
PubChem CID:	124766174
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	384.114378
ΔH_f, kcal/mol:	-100.44
Dipole, Da:	1.62
IP(EA), eV:	-9.15(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3R,3aR,6aS)-3-methyl-4,6-dioxo-5-phenyl-1-thiophen-2-yl-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=CS3)C(=O)N(C2=O)C4=CC=CC=C4)C

DOS

IR

Vibrations