Geometry & MOs

Info

ID:	418259
PubChem CID:	135104022
Reduced:	SO2N4C18H20 (1)
Stoich.:	AB2C4D18E20 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	10.21
Dipole, Da:	0.97
IP(EA), eV:	-8.89(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(propan-2-yl)amino]-N-[(3R,4S)-4-(quinolin-4-ylmethyl)oxolan-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)CN3C[C@H]([C@@H](C3)O)CC4=NC=CN=C4

DOS

IR

Vibrations