Geometry & MOs

Info

ID:	212539
PubChem CID:	81060889
Reduced:	SO2N3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	-47.98
Dipole, Da:	6.27
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(3-carbamothioyl-2,6-dimethylpyridin-4-yl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1CC1)C2=C(C(=NC(=C2)C)C)C(=S)N

DOS

IR

Vibrations