Geometry & MOs

Info

ID:	433188
PubChem CID:	135173325
Reduced:	N2O4C25H30 (1)
Stoich.:	A2B4C25D30 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-104.11
Dipole, Da:	3.84
IP(EA), eV:	-9.19(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S,4R)-4-[[6-(1,3-dihydroisoindol-2-ylmethyl)-4-oxopyran-3-yl]oxymethyl]cyclopent-2-en-1-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC1CC(C=C1)COC2=COC(=CC2=O)CN3CC4=CC=CC=C4C3

DOS

IR

Vibrations