Geometry & MOs

Info

ID:	30077
PubChem CID:	839482
Reduced:	ClSN3O4C12H12 (1)
Stoich.:	ABC3D4E12F12 (1)
Weight, g/mol:	302.108899
ΔH_f, kcal/mol:	-42.98
Dipole, Da:	4.57
IP(EA), eV:	-9.37(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2S)-2-methylbutanoyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=NC(=CN1S(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Cl)C

DOS

IR

Vibrations