Geometry & MOs

Info

ID:	422997
PubChem CID:	135118745
Reduced:	SN3O3C14H23 (1)
Stoich.:	AB3C3D14E23 (1)
Weight, g/mol:	362.130028
ΔH_f, kcal/mol:	-97.83
Dipole, Da:	4.69
IP(EA), eV:	-8.97(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylsulfonyl-N-[(3S,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]propanamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)S(=O)(=O)N2CCC[C@]3(C2)CCC[C@H]3OC

DOS

IR

Vibrations