Geometry & MOs

Info

ID:	323740
PubChem CID:	126675955
Reduced:	ClPN4O11C25H34 (1)
Stoich.:	ABC4D11E25F34 (1)
Weight, g/mol:	314.126657
ΔH_f, kcal/mol:	-524.23
Dipole, Da:	3.77
IP(EA), eV:	-9.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-benzyl-5-(methylcarbamoyl)-6-oxopyridine-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H](COC(=O)[C@H](C(C)C)NC(=O)OC)NP(=O)(OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=O)NC2=O)Cl)O)OC3=CC=CC=C3

DOS

IR

Vibrations