Geometry & MOs

Info

ID:

334304

PubChem CID:

127252856

Reduced:

ClSN2O8H21C22 (1)

Stoich.:

ABC2D8E21F22 (1)

Weight, g/mol:

633.187793

ΔHf, kcal/mol:

-251.96

Dipole, Da:

8.84

IP(EA), eV:

 -9.04(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (6S,7R)-7'-chloro-4',6'-dimethoxy-2,7-dimethyl-4-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]-3',5-dioxospiro[1,4,7,8-tetrahydroquinoline-6,2'-1-benzofuran]-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C(C=C(C=C4)S(=O)(=O)N)O

DOS

IR

Vibrations