Geometry & MOs

Info

ID:	229612
PubChem CID:	87568170
Reduced:	ClFSN3O3C26H33 (1)
Stoich.:	ABCD3E3F26G33 (1)
Weight, g/mol:	515.116742
ΔH_f, kcal/mol:	-122.25
Dipole, Da:	4.21
IP(EA), eV:	-8.67(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoroacetic acid;(1R,2R)-2-[4-[[5-[4-(trifluoromethyl)phenyl]furan-2-yl]methylamino]phenyl]cyclopropane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCCN1C=CC(=N1)/C=C\2/CN(CCC2S)C(C3=CC=CC=C3F)C(=O)C4CC4.Cl

DOS

IR

Vibrations