Geometry & MOs

Info

ID:	173073
PubChem CID:	75592969
Reduced:	ClO2N3C16H24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	369.113857
ΔH_f, kcal/mol:	-86.46
Dipole, Da:	5.49
IP(EA), eV:	-9.2(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[4-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methyl]piperazin-1-yl]-1,3-diazinan-4-one

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)Cl)NC(=O)N2CC(CC2CO)N(C)C

DOS

IR

Vibrations