Geometry & MOs

Info

ID:	187275
PubChem CID:	77553619
Reduced:	OCl2N5C21H27 (1)
Stoich.:	AB2C5D21E27 (1)
Weight, g/mol:	373.075072
ΔH_f, kcal/mol:	-14.77
Dipole, Da:	5.99
IP(EA), eV:	-8.63(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-4-morpholin-4-ylphenyl)sulfonylcyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CNCCC1C2C(CNN2)C3=CN=C(C=C3)NC4=CC5=CC=CC=C5O4.Cl.Cl

DOS

IR

Vibrations