Geometry & MOs

Info

ID:	427935
PubChem CID:	135165529
Reduced:	ClSO2N4H23C25 (1)
Stoich.:	ABC2D4E23F25 (1)
Weight, g/mol:	478.123025
ΔH_f, kcal/mol:	48.3
Dipole, Da:	7.56
IP(EA), eV:	-8.41(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S)-4-[5-chloro-6-(3-methoxynaphthalen-1-yl)-[1,2]thiazolo[3,4-b]pyridin-3-yl]-3-methylpiperazin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C2=C3C=C(C(=NC3=NS2)C4=CC(=CC5=CC=CC=C54)OC)Cl)C(=O)C=C

DOS

IR

Vibrations