Geometry & MOs

Info

ID:	124626
PubChem CID:	50890025
Reduced:	FSN2O3C15H15 (1)
Stoich.:	ABC2D3E15F15 (1)
Weight, g/mol:	401.025535
ΔH_f, kcal/mol:	-127.09
Dipole, Da:	4.49
IP(EA), eV:	-9.0(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(N-(3,4-dichlorophenyl)sulfonyl-2-methylanilino)butanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N(CC(=O)N)S(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations