Geometry & MOs

Info

ID:	161296
PubChem CID:	57391282
Reduced:	BrSO3N5C21H22 (1)
Stoich.:	ABC3D5E21F22 (1)
Weight, g/mol:	445.132335
ΔH_f, kcal/mol:	-25.36
Dipole, Da:	4.79
IP(EA), eV:	-8.84(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,3-dimethyl-4-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methoxy]phenyl]-2-methylidenebutan-1-one

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCNS(=O)(=O)C3=CC=CC4=C3C=CC=N4

DOS

IR

Vibrations