Geometry & MOs

Info

ID:

376679

PubChem CID:

134222702

Reduced:

NO9C34H39 (1)

Stoich.:

AB9C34D39 (1)

Weight, g/mol:

479.267173

ΔHf, kcal/mol:

-361.5

Dipole, Da:

6.32

IP(EA), eV:

 -8.88(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-3,4,5-trimethoxy-6-[(E)-2-[(1R,3S,4S)-4-methoxy-1,3-dimethylcyclohexyl]ethenyl]-4-phenyl-1,3-dihydroquinolin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations