Geometry & MOs

Info

ID:	172495
PubChem CID:	75516465
Reduced:	SN3O4H13C15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	341.087492
ΔH_f, kcal/mol:	-74.61
Dipole, Da:	7.68
IP(EA), eV:	-9.54(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-[[[2-[2-(trifluoromethyl)phenyl]acetyl]amino]methyl]furan-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(O1)CNC(=O)C2=NNC(=C2)C3=CC=CS3)C(=O)O

DOS

IR

Vibrations