Geometry & MOs

Info

ID:	123456
PubChem CID:	50848586
Reduced:	SO3N4C22H26 (1)
Stoich.:	AB3C4D22E26 (1)
Weight, g/mol:	477.219846
ΔH_f, kcal/mol:	-73.38
Dipole, Da:	4.67
IP(EA), eV:	-8.9(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1CCCN(C1)C2=NC(=O)C3=C(N2)C(=CS3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations