Geometry & MOs

Info

ID:	123173
PubChem CID:	50836344
Reduced:	SN2O2H10C12 (2)
Stoich.:	AB2C2D10E12 (2)
Weight, g/mol:	408.08116
ΔH_f, kcal/mol:	-46.28
Dipole, Da:	7.13
IP(EA), eV:	-8.36(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyrrol-1-yl]-N-(5-methylpyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2)C3=CC(=O)N=C(N3)SCC(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations