Geometry & MOs

Info

ID:	231461
PubChem CID:	87573785
Reduced:	ClOF2N2H7C15 (1)
Stoich.:	ABC2D2E7F15 (1)
Weight, g/mol:	451.117747
ΔH_f, kcal/mol:	-40.59
Dipole, Da:	4.16
IP(EA), eV:	-10.05(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-dimethoxyphenyl)-[3-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]amino]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)F)C(=NC(=N2)C(=O)C3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations