Geometry & MOs

Info

ID:	179904
PubChem CID:	76552511
Reduced:	FN5O7C29H34 (1)
Stoich.:	AB5C7D29E34 (1)
Weight, g/mol:	441.112268
ΔH_f, kcal/mol:	-259.98
Dipole, Da:	10.62
IP(EA), eV:	-9.59(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-anilino-5-[[2,5-dimethyl-1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CCC(=O)C1=C(C(=C(C=C1)F)C2CC2NC(=O)NC3=NC=C(C=C3)C#N)OC(=O)OCCCCOC(=O)C(C(C)C)N

DOS

IR

Vibrations