Geometry & MOs

Info

ID:	427934
PubChem CID:	135165528
Reduced:	ClFSO2N4H18C20 (1)
Stoich.:	ABCD2E4F18G20 (1)
Weight, g/mol:	478.123025
ΔH_f, kcal/mol:	-2.41
Dipole, Da:	8.48
IP(EA), eV:	-8.26(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-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(=C\4/C(=O)C=CC=C4F)/N=C3NS2)Cl)C(=O)C=C

DOS

IR

Vibrations