Geometry & MOs

Info

ID:	37790
PubChem CID:	8024403
Reduced:	SN3O4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	402.119127
ΔH_f, kcal/mol:	-84.47
Dipole, Da:	1.98
IP(EA), eV:	-8.79(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-oxo-3-phenyl-1-[2-(trifluoromethyl)anilino]propan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C(=O)O[C@H](C)C2=NC3=C(C(=C(S3)C)C)C(=O)N2

DOS

IR

Vibrations