Geometry & MOs

Info

ID:	335055
PubChem CID:	127253861
Reduced:	ClN2O6C26H29 (1)
Stoich.:	AB2C6D26E29 (1)
Weight, g/mol:	411.179421
ΔH_f, kcal/mol:	-177.4
Dipole, Da:	3.83
IP(EA), eV:	-8.83(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]-3-(4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(C4=CC=CO4)N5CCCC5

DOS

IR

Vibrations