Geometry & MOs

Info

ID:	433187
PubChem CID:	135173324
Reduced:	OS2C13H18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	422.220557
ΔH_f, kcal/mol:	-26.11
Dipole, Da:	2.85
IP(EA), eV:	-8.24(-0.6)
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]cyclopent-2-en-1-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SOCC2CCSCC2

DOS

IR

Vibrations