Geometry & MOs

Info

ID:	234524
PubChem CID:	92298608
Reduced:	ON4C23H24 (1)
Stoich.:	AB4C23D24 (1)
Weight, g/mol:	546.243104
ΔH_f, kcal/mol:	95.5
Dipole, Da:	4.59
IP(EA), eV:	-8.4(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-2-(cyclohexylamino)-1-(4-fluorophenyl)-2-oxoethyl]-5-phenyl-N-quinolin-3-yl-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C\1CC(=C(/C1=C/C2=CC=CC=C2)N3CCOCC3)/C=N\N=C\C4=CN=CC=C4

DOS

IR

Vibrations