Geometry & MOs

Info

ID:	133578
PubChem CID:	51557110
Reduced:	NOC10H13 (1)
Stoich.:	ABC10D13 (1)
Weight, g/mol:	437.042536
ΔH_f, kcal/mol:	-30.45
Dipole, Da:	0.51
IP(EA), eV:	-8.69(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[methyl(thiophen-2-ylsulfonyl)amino]phenyl] 2,5-dimethylbenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)[C@@H](CCO2)N

DOS

IR

Vibrations