Geometry & MOs

Info

ID:	445109
PubChem CID:	135264549
Reduced:	FSN3O4C28H32 (1)
Stoich.:	ABC3D4E28F32 (1)
Weight, g/mol:	648.367556
ΔH_f, kcal/mol:	-139.51
Dipole, Da:	4.79
IP(EA), eV:	-8.79(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-propoxybenzamide

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=NN=C(S2)C3=C(C=C(C=C3)CCC(=O)N4CC(C4)C(=O)O)F

DOS

IR

Vibrations