Geometry & MOs

Info

ID:	124770
PubChem CID:	50895512
Reduced:	NSO4Cl5H12C16 (1)
Stoich.:	ABC4D5E12F16 (1)
Weight, g/mol:	305.048857
ΔH_f, kcal/mol:	-157.2
Dipole, Da:	4.25
IP(EA), eV:	-9.29(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-N-ethylsulfonyl-2-methylanilino)propanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CN(C1=CC(=C(C=C1Cl)Cl)Cl)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations