Geometry & MOs

Info

ID:	155595
PubChem CID:	56366164
Reduced:	FSN2O4H25C27 (1)
Stoich.:	ABC2D4E25F27 (1)
Weight, g/mol:	420.190989
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	3.38
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-imidazol-1-ylpropanoylamino)-N-[3-oxo-3-(pyridin-4-ylmethylamino)propyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NC2=CC3=C(C=C2SC4=CC=CC=C4)OCCO3)C(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations