Geometry & MOs

Info

ID:	175623
PubChem CID:	75929129
Reduced:	O4N5C24H27 (1)
Stoich.:	A4B5C24D27 (1)
Weight, g/mol:	441.127776
ΔH_f, kcal/mol:	-78.79
Dipole, Da:	2.46
IP(EA), eV:	-8.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]-propylamino]-N-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCCC(C2)C(=O)NC3=NNC(=N3)C4=C(C=C(C=C4)OC)OC

DOS

IR

Vibrations