Geometry & MOs

Info

ID:	304870
PubChem CID:	124766258
Reduced:	N2S2O4C17H22 (1)
Stoich.:	A2B2C4D17E22 (1)
Weight, g/mol:	398.130028
ΔH_f, kcal/mol:	-128.92
Dipole, Da:	1.11
IP(EA), eV:	-8.62(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,3S,3aS,6aS)-3-benzyl-5-ethyl-4,6-dioxo-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)C)CCSC

DOS

IR

Vibrations