Geometry & MOs

Info

ID:	334264
PubChem CID:	127252816
Reduced:	ClN2O6C20H23 (1)
Stoich.:	AB2C6D20E23 (1)
Weight, g/mol:	477.189986
ΔH_f, kcal/mol:	-222.57
Dipole, Da:	6.86
IP(EA), eV:	-8.67(-0.29)
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-[(1S)-1-(1-methylbenzimidazol-2-yl)ethyl]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations