Geometry & MOs

Info

ID:	379671
PubChem CID:	134455684
Reduced:	SO3N8C28H30 (1)
Stoich.:	AB3C8D28E30 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	29.89
Dipole, Da:	9.1
IP(EA), eV:	-8.47(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-amino-5-(3-methylimidazol-4-yl)phenyl]-N-methylmethanesulfonamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1C3CCCCO3)N=C(C=C2NC4=CC=CC=C4N(C)S(=O)(=O)C5CC5)NC6=CC=CC(=N6)C#N

DOS

IR

Vibrations