Geometry & MOs

Info

ID:	419987
PubChem CID:	135110578
Reduced:	SN2O3C22H30 (1)
Stoich.:	AB2C3D22E30 (1)
Weight, g/mol:	371.184506
ΔH_f, kcal/mol:	-127.65
Dipole, Da:	3.32
IP(EA), eV:	-8.43(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@@]1(CCN(C[C@H]1O)C(=O)CSC2=NC3=C(C=C(C=C3)C)C(=C2)C)CO

DOS

IR

Vibrations