Geometry & MOs

Info

ID:	121400
PubChem CID:	50766776
Reduced:	SN3O4C25H33 (1)
Stoich.:	AB3C4D25E33 (1)
Weight, g/mol:	328.145678
ΔH_f, kcal/mol:	-145.15
Dipole, Da:	10.36
IP(EA), eV:	-8.78(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl(ethyl)amino]-5-(ethylsulfonylamino)benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC(=C(C=C2)N3CCC(CC3)N4CCCCC4)C(=O)O

DOS

IR

Vibrations