Geometry & MOs

Info

ID:	135576
PubChem CID:	51895252
Reduced:	ON5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	395.133734
ΔH_f, kcal/mol:	66.47
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.969849
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]sulfamoyl]phenyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCCC1=CC(=NC(=N1)N2C(=CC(=N2)C3CC3)N)[O-]

DOS

IR

Vibrations