Geometry & MOs

Info

ID:	154291
PubChem CID:	56313704
Reduced:	SN3O5C19H25 (1)
Stoich.:	AB3C5D19E25 (1)
Weight, g/mol:	416.164854
ΔH_f, kcal/mol:	-142.79
Dipole, Da:	6.29
IP(EA), eV:	-9.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(benzimidazol-1-yl)propyl]-3-(3-fluoro-4-pyridin-3-yloxyphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C(C)C(=O)NCC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations