Geometry & MOs

Info

ID:	140973
PubChem CID:	52792752
Reduced:	N2O3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	397.076613
ΔH_f, kcal/mol:	-98.13
Dipole, Da:	6.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.757407
Charge, e:	0

Chem-info

IUPAC name:

5-[[[2-(2,5-dimethylphenoxy)acetyl]amino]carbamoyl]-4-methylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)OC)[NH+](C)CC2CCCC2

DOS

IR

Vibrations