Geometry & MOs

Info

ID:	265438
PubChem CID:	103520856
Reduced:	SN2O3C14H24 (1)
Stoich.:	AB2C3D14E24 (1)
Weight, g/mol:	333.080157
ΔH_f, kcal/mol:	-129.94
Dipole, Da:	4.37
IP(EA), eV:	-8.51(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-chloro-N-(3,3-dimethylbutylsulfonyl)anilino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)CCS(=O)(=O)NCCOC1=CC=CC(=C1)N

DOS

IR

Vibrations