Geometry & MOs

Info

ID:

376676

PubChem CID:

134222699

Reduced:

NO8C31H33 (1)

Stoich.:

AB8C31D33 (1)

Weight, g/mol:

435.204573

ΔHf, kcal/mol:

-285.95

Dipole, Da:

4.32

IP(EA), eV:

 -9.15(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=C)[C@@H]1CC[C@](O1)(C)/C=C/C2=C(C3=C(C=C2)NC(=O)[C@H]([C@@]3(C4=CC=CC=C4)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations