Geometry & MOs

Info

ID:	306877
PubChem CID:	125264155
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-26.14
Dipole, Da:	4.45
IP(EA), eV:	-9.09(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3aR,6aR)-N,1-dimethyl-5-(1,3-thiazole-4-carbonyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)[C@@H]1C[C@@H]2CN(C[C@H]2N1C)C(=O)C3=CSC=N3

DOS

IR

Vibrations