Geometry & MOs

Info

ID:	123180
PubChem CID:	50836615
Reduced:	ClOSN4H23C25 (1)
Stoich.:	ABCD4E23F25 (1)
Weight, g/mol:	456.17506
ΔH_f, kcal/mol:	67.78
Dipole, Da:	2.19
IP(EA), eV:	-8.58(-1.05)
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-[3-(3-methylpiperidin-1-yl)propyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C(=O)CN3C=CC=C3C4=NC(=CS4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations