Geometry & MOs

Info

ID:	139446
PubChem CID:	52531951
Reduced:	ClO2N3C20H24 (1)
Stoich.:	AB2C3D20E24 (1)
Weight, g/mol:	392.041998
ΔH_f, kcal/mol:	-62.92
Dipole, Da:	3.28
IP(EA), eV:	-9.64(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-N-[(1S)-1-thiophen-2-ylethyl]acetamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)[C@H]3C[C@H]4CC[C@@H]3C4

DOS

IR

Vibrations