Geometry & MOs

Info

ID:	43136
PubChem CID:	10318894
Reduced:	ClN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	401.06009
ΔH_f, kcal/mol:	-124.36
Dipole, Da:	7.91
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[3-[(6-chloro-1,3-benzothiazol-2-yl)methyl]-2-oxobenzimidazol-1-yl]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC(=O)NCCCCCC(=O)O)C2=NC3=C(O2)C=CC(=C3)Cl

DOS

IR

Vibrations