Geometry & MOs

Info

ID:	335793
PubChem CID:	127254655
Reduced:	NO5C21H21 (1)
Stoich.:	AB5C21D21 (1)
Weight, g/mol:	431.124798
ΔH_f, kcal/mol:	-123.65
Dipole, Da:	4.3
IP(EA), eV:	-8.39(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(=O)C2=COC3=C2C(=C(C=C3)O)CN4CCOCC4

DOS

IR

Vibrations