Geometry & MOs

Info

ID:	414499
PubChem CID:	135087458
Reduced:	N2F3O3C18H23 (1)
Stoich.:	A2B3C3D18E23 (1)
Weight, g/mol:	320.119464
ΔH_f, kcal/mol:	-300.48
Dipole, Da:	6.28
IP(EA), eV:	-9.15(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]ethanesulfonamide

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)C(=O)NC3=CC=CC(=C3)C(F)(F)F)O

DOS

IR

Vibrations