Geometry & MOs

Info

ID:

334705

PubChem CID:

127253380

Reduced:

N2O9C29H36 (1)

Stoich.:

A2B9C29D36 (1)

Weight, g/mol:

597.140174

ΔHf, kcal/mol:

-288.35

Dipole, Da:

4.12

IP(EA), eV:

 -8.65(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(6S,7R)-7'-chloro-4',6'-dimethoxy-3-methoxycarbonyl-2,7-dimethyl-3',5-dioxospiro[1,4,7,8-tetrahydroquinoline-6,2'-1-benzofuran]-4-yl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC(C2=CC(=C(C(=C2)OC)OC)OC)N(C)C)C3=CC(=C(C=C3)O)OC)O

DOS

IR

Vibrations