Geometry & MOs

Info

ID:	440971
PubChem CID:	135232531
Reduced:	SO3N5H23C27 (1)
Stoich.:	AB3C5D23E27 (1)
Weight, g/mol:	454.131091
ΔH_f, kcal/mol:	-10.44
Dipole, Da:	6.18
IP(EA), eV:	-8.28(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[6-[2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]-1,3-thiazol-4-yl]-2-oxo-3,4-dihydroquinolin-1-yl]propanoate

Drug info:

PubChemData

Smile

CC1=C(OC(=N1)C)C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)N(C(=O)CC4)CC5=CNC6=CC=CC=C65

DOS

IR

Vibrations