Geometry & MOs

Info

ID:	161672
PubChem CID:	57392296
Reduced:	N3O3H25C28 (1)
Stoich.:	A3B3C25D28 (1)
Weight, g/mol:	455.080733
ΔH_f, kcal/mol:	58.43
Dipole, Da:	11.06
IP(EA), eV:	-8.44(-2.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[5-(5-tert-butyl-2-oxo-1,3,4-thiadiazol-3-yl)-6-fluoro-1,3-benzothiazol-2-yl]sulfanyl]butanoate

Drug info:

PubChemData

Smile

C1CCN(C1)CCONC2=C3C4=CC=CC=C4NC(=C5C=CC(=O)C=C5)C3=C6C2=CC(=O)C=C6

DOS

IR

Vibrations