Geometry & MOs

Info

ID:	302858
PubChem CID:	124397670
Reduced:	NO2C16H19 (1)
Stoich.:	AB2C16D19 (1)
Weight, g/mol:	463.215887
ΔH_f, kcal/mol:	-66.39
Dipole, Da:	2.16
IP(EA), eV:	-8.3(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl (E,3S,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)OCC)NC1=CC2=CC=CC=C2C=C1

DOS

IR

Vibrations