Geometry & MOs

Info

ID:	424425
PubChem CID:	135122634
Reduced:	N3O5C24H29 (1)
Stoich.:	A3B5C24D29 (1)
Weight, g/mol:	296.10823
ΔH_f, kcal/mol:	-160.9
Dipole, Da:	5.34
IP(EA), eV:	-9.59(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 4-cyclopentylsulfonylbenzoate

Drug info:

PubChemData

Smile

CCC1=NN(C2=C1C(=O)NCC3(C2)CCOCC3)CCCOC(=O)C4=CC=C(C=C4)C=O

DOS

IR

Vibrations