Geometry & MOs

Info

ID:	335078
PubChem CID:	127253884
Reduced:	ClN4O5C22H23 (1)
Stoich.:	AB4C5D22E23 (1)
Weight, g/mol:	489.189986
ΔH_f, kcal/mol:	-123.87
Dipole, Da:	6.12
IP(EA), eV:	-8.82(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCNC4=NC=CC=N4

DOS

IR

Vibrations