Geometry & MOs

Info

ID:	236486
PubChem CID:	92713414
Reduced:	ClN2O3C22H29 (1)
Stoich.:	AB2C3D22E29 (1)
Weight, g/mol:	446.2217
ΔH_f, kcal/mol:	-126.19
Dipole, Da:	3.33
IP(EA), eV:	-8.87(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[(S)-(3-fluorophenyl)-[4-hydroxy-1-(2-methoxyethyl)-6-methyl-2-oxopyridin-3-yl]methyl]piperidine-4-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(CC1)[C@H](C2=CC=C(C=C2)Cl)C3=C(C=C(N(C3=O)CCOC)C)O

DOS

IR

Vibrations