Geometry & MOs

Info

ID:	271313
PubChem CID:	103654531
Reduced:	BrN2S2O3C9H13 (1)
Stoich.:	AB2C2D3E9F13 (1)
Weight, g/mol:	299.068825
ΔH_f, kcal/mol:	-91.31
Dipole, Da:	4.32
IP(EA), eV:	-9.82(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-cyano-5-nitropyridin-2-yl)amino]-N-ethylethanesulfonamide

Drug info:

PubChemData

Smile

CCNS(=O)(=O)CCNC(=O)C1=CC=C(S1)Br

DOS

IR

Vibrations