Geometry & MOs

Info

ID:	130629
PubChem CID:	51091814
Reduced:	N2S2O3C15H18 (1)
Stoich.:	A2B2C3D15E18 (1)
Weight, g/mol:	319.189592
ΔH_f, kcal/mol:	-89.54
Dipole, Da:	6.46
IP(EA), eV:	-8.89(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-N-[2-oxo-2-[4-(propanoylamino)anilino]ethyl]butanamide

Drug info:

PubChemData

Smile

CCC1=C(SC=C1)C(=O)NCC2=CC=C(C=C2)NS(=O)(=O)C

DOS

IR

Vibrations