Geometry & MOs

Info

ID:

334846

PubChem CID:

127253652

Reduced:

SN6O6C37H46 (1)

Stoich.:

AB6C6D37E46 (1)

Weight, g/mol:

431.124798

ΔHf, kcal/mol:

6.92

Dipole, Da:

12.6

IP(EA), eV:

 -8.57(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-(2-imidazol-1-ylethylamino)-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C1=NN=C2N1C=CC=C2)NC(=O)[C@H](CCSC)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations