Geometry & MOs

Info

ID:	419340
PubChem CID:	135107998
Reduced:	ClSN2O5C12H17 (1)
Stoich.:	ABC2D5E12F17 (1)
Weight, g/mol:	275.138225
ΔH_f, kcal/mol:	-171.26
Dipole, Da:	6.78
IP(EA), eV:	-9.39(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[[3-(dimethylamino)pyrazin-2-yl]amino]methyl]-N-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CC=C(O2)Cl

DOS

IR

Vibrations