Geometry & MOs

Info

ID:

376672

PubChem CID:

134222695

Reduced:

NO6C30H39 (1)

Stoich.:

AB6C30D39 (1)

Weight, g/mol:

493.246438

ΔHf, kcal/mol:

-204.18

Dipole, Da:

4.29

IP(EA), eV:

 -8.64(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-3,4,5-trimethoxy-4-(4-methoxyphenyl)-6-[(E)-2-[(2R,5S)-2-methyl-5-prop-1-en-2-yloxolan-2-yl]ethenyl]-1,3-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations