Geometry & MOs

Info

ID:	420835
PubChem CID:	135114906
Reduced:	NSO4C21H25 (1)
Stoich.:	ABC4D21E25 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-140.71
Dipole, Da:	4.3
IP(EA), eV:	-9.05(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(4aS,8aS)-4a-(3,6-dihydro-2H-pyran-4-yl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[4,3-b]pyridine-1-carbonyl]-2-methyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@]1(CC2=CC=CC=C2)C(=O)O)O)C(=O)CCCC3=CC=CS3

DOS

IR

Vibrations