Geometry & MOs

Info

ID:

334612

PubChem CID:

127253287

Reduced:

O4N6H28C29 (1)

Stoich.:

A4B6C28D29 (1)

Weight, g/mol:

627.173205

ΔHf, kcal/mol:

3.73

Dipole, Da:

7.83

IP(EA), eV:

 -9.14(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[2-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]-4,5-dimethoxyphenyl]tetrazol-2-yl]butanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)[C@@H]3CC4=C(C=CC(=C4)[N+](=O)[O-])N5[C@H]3C6CC(C5)C7=CC=CC(=O)N7C6

DOS

IR

Vibrations