Geometry & MOs

Info

ID:	46814
PubChem CID:	10527502
Reduced:	SN3O5H19C23 (1)
Stoich.:	AB3C5D19E23 (1)
Weight, g/mol:	449.142757
ΔH_f, kcal/mol:	50.0
Dipole, Da:	3.72
IP(EA), eV:	-9.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[[(4-chlorophenyl)sulfonylamino]-cyclopentylmethyl]phenyl]butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2=CC(=NO2)C3=NOC(=C3)COCC4=CC(=NO4)C5=CC=CS5

DOS

IR

Vibrations