Geometry & MOs

Info

ID:	124724
PubChem CID:	50894043
Reduced:	NSO4H19C20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	437.92469
ΔH_f, kcal/mol:	-108.17
Dipole, Da:	3.99
IP(EA), eV:	-8.63(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-nitroanilino)acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)N(CCCC(=O)O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations