Geometry & MOs

Info

ID:	134346
PubChem CID:	51684225
Reduced:	S2N3O6C19H29 (1)
Stoich.:	A2B3C6D19E29 (1)
Weight, g/mol:	355.008135
ΔH_f, kcal/mol:	-214.36
Dipole, Da:	4.48
IP(EA), eV:	-9.41(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

3-[4-(2-chloro-4-fluorophenyl)azanidylsulfonylphenyl]propanoate

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)S(=O)(=O)C2=CC=C(C=C2)C(=O)N([C@@H]3CCS(=O)(=O)C3)N(C)C

DOS

IR

Vibrations