Geometry & MOs

Info

ID:

334841

PubChem CID:

127253647

Reduced:

S2N5O7C30H37 (1)

Stoich.:

A2B5C7D30E37 (1)

Weight, g/mol:

464.1139

ΔHf, kcal/mol:

-165.16

Dipole, Da:

12.5

IP(EA), eV:

 -8.42(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-(quinolin-5-ylamino)spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)N[C@@H](CCSC)C(=O)NC4=NN=C(S4)COC)OC)OC)OC

DOS

IR

Vibrations