Geometry & MOs

Info

ID:	308409
PubChem CID:	125326936
Reduced:	SN3O6C34H43 (1)
Stoich.:	AB3C6D34E43 (1)
Weight, g/mol:	276.09102
ΔH_f, kcal/mol:	-162.76
Dipole, Da:	7.77
IP(EA), eV:	-8.38(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-N-[(3-fluorophenyl)methyl]-3-methoxy-4-oxo-3H-pyridine-6-carboxamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N[C@H](CCSC)C(=O)NC[C@H]4C[C@@H]5C[C@@H]4C=C5)OC)OC)OC

DOS

IR

Vibrations