Geometry & MOs

Info

ID:	333999
PubChem CID:	127252551
Reduced:	NO6H33C34 (1)
Stoich.:	AB6C33D34 (1)
Weight, g/mol:	439.174336
ΔH_f, kcal/mol:	-97.58
Dipole, Da:	5.31
IP(EA), eV:	-7.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[1-[4-hydroxy-1-[2-(1H-imidazol-5-yl)ethyl]-6-methyl-2-oxopyridin-3-yl]-3-methoxy-3-oxopropyl]benzoate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)OC(=O)C=C2C3=CC4=C(C(=C5C(=C4CCN3C)C=CC6=CC(=C(C=C65)OC)OC)OC)OC

DOS

IR

Vibrations