Geometry & MOs

Info

ID:	227951
PubChem CID:	87563118
Reduced:	FSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	269.164046
ΔH_f, kcal/mol:	-65.3
Dipole, Da:	4.65
IP(EA), eV:	-9.15(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(1,2-dihydropyrazol-3-ylidene)-N-pentylbenzimidazol-4-amine

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NC(=C(S2)NN([C@@H](CC3=CC=C(C=C3)F)C=O)C(=O)O)C

DOS

IR

Vibrations