Geometry & MOs

Info

ID:	176762
PubChem CID:	76095098
Reduced:	O5C20H32 (1)
Stoich.:	A5B20C32 (1)
Weight, g/mol:	398.162391
ΔH_f, kcal/mol:	-190.76
Dipole, Da:	3.56
IP(EA), eV:	-9.85(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

carboxy-[5-(1-methylimidazol-2-yl)sulfanyl-1-(4-methylpiperidin-1-yl)-1-oxopentan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCCCOCC1C(C2C3C(C1O2)O3)CC=CCCCC(=O)O

DOS

IR

Vibrations