Geometry & MOs

Info

ID:	123457
PubChem CID:	50848642
Reduced:	SO2N5C26H31 (1)
Stoich.:	AB2C5D26E31 (1)
Weight, g/mol:	485.169703
ΔH_f, kcal/mol:	-24.14
Dipole, Da:	4.69
IP(EA), eV:	-8.9(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-1-[3-methyl-5-(pyrrolidine-1-carbonyl)-[1,2]thiazolo[5,4-b]pyridin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)C2CCN(CC2)C3=C4C(=NSC4=NC=C3C(=O)N5CCCC5)C

DOS

IR

Vibrations