Geometry & MOs

Info

ID:	150353
PubChem CID:	53790041
Reduced:	NO5C21H29 (1)
Stoich.:	AB5C21D29 (1)
Weight, g/mol:	409.20755
ΔH_f, kcal/mol:	-193.29
Dipole, Da:	4.18
IP(EA), eV:	-8.34(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1S,2R,5R)-2-[(4-phenylphenyl)methoxy]-5-thiomorpholin-4-ylcyclopentyl]propanal

Drug info:

PubChemData

Smile

CCC1=C(N(C=C1C)CCOC2=CC=C(C=C2)CC(C(=O)OCC)OC)O

DOS

IR

Vibrations