Geometry & MOs

Info

ID:	440974
PubChem CID:	135232539
Reduced:	SO3N5C22H25 (1)
Stoich.:	AB3C5D22E25 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	-58.11
Dipole, Da:	8.55
IP(EA), eV:	-8.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-[4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C)C)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(C(=O)CC4)CCOC

DOS

IR

Vibrations