Geometry & MOs

Info

ID:	193475
PubChem CID:	78398876
Reduced:	SF3N3O3C16H16 (1)
Stoich.:	AB3C3D3E16F16 (1)
Weight, g/mol:	433.163771
ΔH_f, kcal/mol:	-180.75
Dipole, Da:	11.56
IP(EA), eV:	-8.83(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,7a-dihydrobenzimidazol-2-ylidene)-3-cyano-2-oxopropyl] 4-oxo-4-(4-propoxyphenyl)butanoate

Drug info:

PubChemData

Smile

C1CCC2C(C1)NC(=C(C(=O)C(F)(F)F)SC3=CC=CC=C3[N+](=O)[O-])N2

DOS

IR

Vibrations