Geometry & MOs

Info

ID:	304805
PubChem CID:	124766191
Reduced:	SN2O5H18C19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	412.145678
ΔH_f, kcal/mol:	-148.96
Dipole, Da:	3.87
IP(EA), eV:	-9.36(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1S,3S,3aR,6aS)-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

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

DOS

IR

Vibrations