Geometry & MOs

Info

ID:	416694
PubChem CID:	135090123
Reduced:	ON3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-15.84
Dipole, Da:	4.65
IP(EA), eV:	-8.51(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)CC3=C4C=CNC4=CC=C3)CO

DOS

IR

Vibrations