Geometry & MOs

Info

ID:

334464

PubChem CID:

127253016

Reduced:

SN3O7C23H27 (1)

Stoich.:

AB3C7D23E27 (1)

Weight, g/mol:

491.134695

ΔHf, kcal/mol:

-192.93

Dipole, Da:

2.67

IP(EA), eV:

 -8.61(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[[3-(furan-2-ylmethoxy)-2-hydroxypropyl]amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NC(CCSC)C2=NC(=NO2)C)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations