Geometry & MOs

Info

ID:	309877
PubChem CID:	126563721
Reduced:	N3O3C19H19 (1)
Stoich.:	A3B3C19D19 (1)
Weight, g/mol:	467.13042
ΔH_f, kcal/mol:	23.42
Dipole, Da:	11.95
IP(EA), eV:	-8.69(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-2-[[2-oxo-3-pyridin-2-yl-4-(trifluoromethyl)-1H-quinolin-7-yl]amino]hexanal

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)COC2=C(N=CCN2)C3=CC=C(C=C3)[N+](=O)[O-])C

DOS

IR

Vibrations