Geometry & MOs

Info

ID:	436889
PubChem CID:	135212619
Reduced:	N4H24C39 (1)
Stoich.:	A4B24C39 (1)
Weight, g/mol:	202.077599
ΔH_f, kcal/mol:	221.37
Dipole, Da:	1.6
IP(EA), eV:	-8.12(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-methylbutan-2-ylsulfonyl)-1H-imidazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2N=C5N4C6=C(C7=CC=CC=C75)C(=CC=C6)N8C9=CC=CC=C9C1=CC=CC=C18

DOS

IR

Vibrations