Geometry & MOs

Info

ID:	270503
PubChem CID:	103636922
Reduced:	OSN2C6H6 (2)
Stoich.:	ABC2D6E6 (2)
Weight, g/mol:	318.045647
ΔH_f, kcal/mol:	16.18
Dipole, Da:	6.13
IP(EA), eV:	-9.51(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-cyano-N-[3-(methanesulfonamido)propyl]pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNS(=O)(=O)C2=CN=C(C=C2)C#N

DOS

IR

Vibrations