Geometry & MOs

Info

ID:	162511
PubChem CID:	57394900
Reduced:	N2O3C18H18 (1)
Stoich.:	A2B3C18D18 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-48.22
Dipole, Da:	4.65
IP(EA), eV:	-9.24(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5E)-4-(1,3-benzodioxol-5-yl)-5-(4-methyl-3H-1,3-thiazol-2-ylidene)imidazol-2-yl]pentanoic acid

Drug info:

PubChemData

Smile

C1CC(=O)N([C@H]1C(=O)NO)CC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations