Geometry & MOs

Info

ID:	308157
PubChem CID:	125317190
Reduced:	SN3O3C33H45 (1)
Stoich.:	AB3C3D33E45 (1)
Weight, g/mol:	563.318163
ΔH_f, kcal/mol:	-128.62
Dipole, Da:	5.87
IP(EA), eV:	-8.99(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-N-[4-(1-adamantyl)-1,3-thiazol-2-yl]-1-decyl-2-hydroxy-4-oxo-2,3-dihydroquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCN1[C@@H]([C@@H](C(=O)C2=CC=CC=C21)C(=O)NC3=NC(=CS3)C45CC6CC(C4)CC(C6)C5)O

DOS

IR

Vibrations