Geometry & MOs

Info

ID:	302483
PubChem CID:	124361935
Reduced:	ON3H15C21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	489.077273
ΔH_f, kcal/mol:	110.5
Dipole, Da:	5.55
IP(EA), eV:	-8.35(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2R,3R,4S)-4-(3,4-dichlorophenyl)-2,6-dihydroxy-2-phenyl-3-quinolin-1-ium-1-yl-3,4-dihydropyran-5-carbonitrile

Drug info:

PubChemData

Smile

C1[C@H](N2[C@H](C1(C#N)C#N)C=CC3=CC=CC=C32)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations