Geometry & MOs

Info

ID:	334117
PubChem CID:	127252669
Reduced:	N5O6C37H45 (1)
Stoich.:	A5B6C37D45 (1)
Weight, g/mol:	513.215138
ΔH_f, kcal/mol:	-162.73
Dipole, Da:	5.37
IP(EA), eV:	-8.25(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-diphenylpropyl)-3-(4-hydroxy-3-methoxyphenyl)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)NCCCC(=O)NCCCCCC4=NC5=CC=CC=C5N4)OC)OC)OC

DOS

IR

Vibrations