Geometry & MOs

Info

ID:	427955
PubChem CID:	135165579
Reduced:	ClO2N8C34H41 (1)
Stoich.:	AB2C8D34E41 (1)
Weight, g/mol:	432.00224
ΔH_f, kcal/mol:	-12.27
Dipole, Da:	3.27
IP(EA), eV:	-8.58(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(6-bromo-5-chloro-[1,2]thiazolo[3,4-b]pyridin-3-yl)piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CCCC1=C(C=CC=C1NC(=O)C2=NC3=C(N2C)CCNC3)C4=C(C(=CC=C4)NC(=O)C5=NC6=C(N5C)CCN(C6)CCC)Cl

DOS

IR

Vibrations