Geometry & MOs

Info

ID:	297425
PubChem CID:	117617223
Reduced:	ClFO3N8C30H32 (1)
Stoich.:	ABC3D8E30F32 (1)
Weight, g/mol:	392.020926
ΔH_f, kcal/mol:	36.57
Dipole, Da:	18.68
IP(EA), eV:	-7.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[4-(2,2,2-trifluoroethyl)-1,3-thiazol-2-yl]carbamoyl]phenyl] 3-chloropropanoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H]2N1C3=NC4=CC(=NC(=C4N3CC25CCC(CC5)C)C6=CC(=CN=C6)Cl)C7=NC(=O)ON7)C(=O)C8(CC8)F

DOS

IR

Vibrations