Geometry & MOs

Info

ID:	151082
PubChem CID:	53790779
Reduced:	ON2C19H24 (1)
Stoich.:	AB2C19D24 (1)
Weight, g/mol:	692.216084
ΔH_f, kcal/mol:	-18.51
Dipole, Da:	3.12
IP(EA), eV:	-8.71(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[[5-[2-(benzenesulfinyl)acetyl]-4-methylsulfanyl-2-propan-2-ylimidazol-1-yl]methyl]phenyl]phenyl]sulfonyl-3-(cyclopentylmethyl)urea

Drug info:

PubChemData

Smile

CCC1CN(C2=C3CCCCC3=NC4=C2C(=CC=C4)O1)CC

DOS

IR

Vibrations