Geometry & MOs

Info

ID:

376686

PubChem CID:

134222709

Reduced:

NO6C26H31 (1)

Stoich.:

AB6C26D31 (1)

Weight, g/mol:

455.230788

ΔHf, kcal/mol:

-228.87

Dipole, Da:

2.48

IP(EA), eV:

 -8.95(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-4,5-dihydroxy-4-(4-hydroxyphenyl)-3-methoxy-6-[2-[(2S,5S)-2-methyl-5-propan-2-yloxolan-2-yl]ethyl]-1,3-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@](CC[C@@H]1O)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@H]([C@@]3(C4=CC=C(C=C4)O)O)OC)O

DOS

IR

Vibrations