Geometry & MOs

Info

ID:	419535
PubChem CID:	135108391
Reduced:	N2O2C19H24 (1)
Stoich.:	A2B2C19D24 (1)
Weight, g/mol:	368.130697
ΔH_f, kcal/mol:	-64.62
Dipole, Da:	3.16
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-[2-(methylamino)-1,3-thiazol-4-yl]methanone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@@]12CCCN(C2)C(=O)C3=CC=CC4=C3NC=C4

DOS

IR

Vibrations