Geometry & MOs

Info

ID:	429554
PubChem CID:	135169603
Reduced:	O2F3N3H16C17 (1)
Stoich.:	A2B3C3D16E17 (1)
Weight, g/mol:	466.17871
ΔH_f, kcal/mol:	-180.44
Dipole, Da:	4.06
IP(EA), eV:	-9.2(-1.12)
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-formamido-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/N)/C(=NC1=CC=CC2=C1C=C(C=N2)C)C(F)(F)F

DOS

IR

Vibrations