Geometry & MOs

Info

ID:	306878
PubChem CID:	125264157
Reduced:	SO2N4C13H18 (1)
Stoich.:	AB2C4D13E18 (1)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-39.5
Dipole, Da:	4.6
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3aS,6aS)-5-oxo-4-(pyridin-3-ylmethyl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-1-yl]-N,N-dimethylacetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations