Geometry & MOs

Info

ID:	433216
PubChem CID:	135173353
Reduced:	NF3O5H12C16 (1)
Stoich.:	AB3C5D12E16 (1)
Weight, g/mol:	430.156243
ΔH_f, kcal/mol:	-286.65
Dipole, Da:	2.38
IP(EA), eV:	-9.7(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]-1-oxothian-1-ylidene]acetamide

Drug info:

PubChemData

Smile

CN(CC1=CC(=O)C(=CO1)O)C(=O)C2=C(C=CC(=C2)C(F)(F)F)C=O

DOS

IR

Vibrations