Geometry & MOs

Info

ID:	429314
PubChem CID:	135169283
Reduced:	ON3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	376.13176
ΔH_f, kcal/mol:	20.62
Dipole, Da:	3.43
IP(EA), eV:	-9.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-formamidoacetamide

Drug info:

PubChemData

Smile

CC(C)C1=NC(=NC=C1)OCC2=CN=CC=C2

DOS

IR

Vibrations