Geometry & MOs

Info

ID:	335971
PubChem CID:	127254978
Reduced:	ClO2N5C18H24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	433.086305
ΔH_f, kcal/mol:	-21.99
Dipole, Da:	7.59
IP(EA), eV:	-9.57(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-3-(1-hydroxy-3,4,5-trimethylimidazol-3-ium-2-yl)propanoic acid;chloride

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N1CCC(CC1)(C2=CC=C(C=C2)Cl)O)N3C=NN=N3

DOS

IR

Vibrations