Geometry & MOs

Info

ID:	336147
PubChem CID:	127255154
Reduced:	ClNF3O3H25C32 (1)
Stoich.:	ABC3D3E25F32 (1)
Weight, g/mol:	425.096476
ΔH_f, kcal/mol:	-188.2
Dipole, Da:	4.31
IP(EA), eV:	-8.6(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)[C@H]1[C@@H](C2(C3N1C4=C(C=C3)C=C(C=C4)Cl)C(=O)C5=CC=CC=C5C2=O)C6=CC=C(C=C6)C(F)(F)F

DOS

IR

Vibrations