Geometry & MOs

Info

ID:	433486
PubChem CID:	135173623
Reduced:	N2O5C25H32 (1)
Stoich.:	A2B5C25D32 (1)
Weight, g/mol:	368.173607
ΔH_f, kcal/mol:	-178.34
Dipole, Da:	3.64
IP(EA), eV:	-9.11(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-3-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]cyclopentyl]formamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations