Geometry & MOs

Info

ID:	310514
PubChem CID:	126581410
Reduced:	F2N3O5C29H29 (1)
Stoich.:	A2B3C5D29E29 (1)
Weight, g/mol:	467.249667
ΔH_f, kcal/mol:	-204.47
Dipole, Da:	8.97
IP(EA), eV:	-8.89(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-2-amino-1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]ethenyl]-1-benzyl-6-fluorobenzimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1C[C@]2(C[C@@H]2CO)N3C=C(C(=O)C(=C3C1=O)OCC4=CC=CC=C4)C(=O)NCC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations