Geometry & MOs

Info

ID:	252697
PubChem CID:	103113329
Reduced:	BrSN2O3C12H17 (1)
Stoich.:	ABC2D3E12F17 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-101.4
Dipole, Da:	0.97
IP(EA), eV:	-9.04(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-amino-2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]amino]pyridine-4-carboxylate

Drug info:

PubChemData

Smile

CCN(C)C(=O)C(C)NS(=O)(=O)C1=CC=CC=C1Br

DOS

IR

Vibrations