Geometry & MOs

Info

ID:	417121
PubChem CID:	135091401
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	344.130697
ΔH_f, kcal/mol:	-146.87
Dipole, Da:	4.3
IP(EA), eV:	-8.85(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,5R)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@@H]1O)CC2=CC=C(C=C2)C(C)C)C(=O)O

DOS

IR

Vibrations