Geometry & MOs

Info

ID:	420641
PubChem CID:	135114555
Reduced:	ClFN2O2C16H20 (1)
Stoich.:	ABC2D2E16F20 (1)
Weight, g/mol:	348.150764
ΔH_f, kcal/mol:	-145.11
Dipole, Da:	5.42
IP(EA), eV:	-9.02(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]butane-1-sulfonamide

Drug info:

PubChemData

Smile

C1C[C@H]([C@@]2(C1)CCCN(C2)C(=O)NC3=CC(=C(C=C3)F)Cl)O

DOS

IR

Vibrations