Geometry & MOs

Info

ID:	336177
PubChem CID:	127255184
Reduced:	N5O5H23C24 (1)
Stoich.:	A5B5C23D24 (1)
Weight, g/mol:	295.099063
ΔH_f, kcal/mol:	-98.98
Dipole, Da:	6.91
IP(EA), eV:	-8.98(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4,5-dimethyl-3-oxidoimidazol-3-ium-1-yl)ethyl]benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NCCN5C=CN=C5)OC

DOS

IR

Vibrations