Geometry & MOs

Info

ID:	149400
PubChem CID:	53789073
Reduced:	SN2O2C21H32 (1)
Stoich.:	AB2C2D21E32 (1)
Weight, g/mol:	503.164555
ΔH_f, kcal/mol:	-86.01
Dipole, Da:	5.21
IP(EA), eV:	-9.41(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-[[2-[2-(tert-butylsulfamoyl)phenyl]phenyl]methyl]-5-chloroimidazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCNC(=O)CN1C(CC1=O)SCC2=CC=CC=C2

DOS

IR

Vibrations