Geometry & MOs

Info

ID:	334041
PubChem CID:	127252593
Reduced:	O3N5H15C20 (1)
Stoich.:	A3B5C15D20 (1)
Weight, g/mol:	519.236936
ΔH_f, kcal/mol:	-8.3
Dipole, Da:	5.12
IP(EA), eV:	-9.04(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-N-[2-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CC(=O)NC5=CC=NN5

DOS

IR

Vibrations