Geometry & MOs

Info

ID:	133395
PubChem CID:	51520327
Reduced:	FN2O3C18H20 (1)
Stoich.:	AB2C3D18E20 (1)
Weight, g/mol:	323.001907
ΔH_f, kcal/mol:	-86.86
Dipole, Da:	3.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.037026
Charge, e:	-2

Chem-info

IUPAC name:

5-(2-chlorophenyl)azanidylsulfonyl-2-methylbenzoate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2F)C(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-]

DOS

IR

Vibrations