Geometry & MOs

Info

ID:	335643
PubChem CID:	127254505
Reduced:	FON3C21H24 (1)
Stoich.:	ABC3D21E24 (1)
Weight, g/mol:	469.1849
ΔH_f, kcal/mol:	-44.91
Dipole, Da:	8.84
IP(EA), eV:	-8.68(-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-[2-(2-methoxy-2-oxoethoxy)phenyl]propanoate

Drug info:

PubChemData

Smile

C1CN(CC2=C1NC3=C2C=C(C=C3)F)C(=O)CCCCCN4C=CC=C4

DOS

IR

Vibrations