Geometry & MOs

Info

ID:	196900
PubChem CID:	78893438
Reduced:	FN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	434.102431
ΔH_f, kcal/mol:	-135.92
Dipole, Da:	6.36
IP(EA), eV:	-8.51(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[3-[[[4-(trifluoromethyl)-1,3-thiazol-2-yl]carbamoylamino]methyl]phenyl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCC1CC2=CC(=CC=C2)F)C(=O)NC3=CC4=C(C=C3)NC(=O)CO4

DOS

IR

Vibrations