Geometry & MOs

Info

ID:	422187
PubChem CID:	135117358
Reduced:	ClNSO4C18H24 (1)
Stoich.:	ABCD4E18F24 (1)
Weight, g/mol:	359.184506
ΔH_f, kcal/mol:	-184.73
Dipole, Da:	7.19
IP(EA), eV:	-8.45(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-hydroxy-1-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-3-propylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)CSC3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations