Geometry & MOs

Info

ID:	234126
PubChem CID:	92297784
Reduced:	OSCl4N5H21C24 (1)
Stoich.:	ABC4D5E21F24 (1)
Weight, g/mol:	536.269988
ΔH_f, kcal/mol:	48.76
Dipole, Da:	4.74
IP(EA), eV:	-8.76(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(4-fluorophenyl)methyl-(2-phenylethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N=NC2=CC(=C(C=C2)NC(=S)N[C@@H](C(Cl)(Cl)Cl)NC(=O)C3=CC(=CC=C3)Cl)C

DOS

IR

Vibrations