Geometry & MOs

Info

ID:	60772
PubChem CID:	26701985
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	342.064983
ΔH_f, kcal/mol:	-19.51
Dipole, Da:	4.71
IP(EA), eV:	-9.0(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)N2CCC[C@@H]2C3=NC4=CC=CC=C4S3)[N+](=O)[O-]

DOS

IR

Vibrations