Geometry & MOs

Info

ID:	440972
PubChem CID:	135232534
Reduced:	SN4O5C22H22 (1)
Stoich.:	AB4C5D22E22 (1)
Weight, g/mol:	486.183795
ΔH_f, kcal/mol:	-144.36
Dipole, Da:	5.61
IP(EA), eV:	-8.46(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-[4-[2-oxo-1-(pyridin-3-ylmethyl)-3,4-dihydroquinolin-6-yl]-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(C(=O)CC4)CCC(=O)OC

DOS

IR

Vibrations