Geometry & MOs

Info

ID:	229508
PubChem CID:	87567873
Reduced:	N3O4C29H29 (1)
Stoich.:	A3B4C29D29 (1)
Weight, g/mol:	474.142737
ΔH_f, kcal/mol:	-41.78
Dipole, Da:	3.63
IP(EA), eV:	-8.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-4-amino-5-fluoro-3-[5-[4-(2,2,2-trifluoroacetyl)piperazin-1-yl]-1,3-dihydrobenzimidazol-2-ylidene]quinolin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C(=C/C2=CC=C(C=C2)/C=C/C(=O)NC3=CC=CC=C3N)/C(=O)NC4CC4)OC

DOS

IR

Vibrations