Geometry & MOs

Info

ID:

335098

PubChem CID:

127253904

Reduced:

SN3O6H25C26 (1)

Stoich.:

AB3C6D25E26 (1)

Weight, g/mol:

573.095722

ΔHf, kcal/mol:

-137.36

Dipole, Da:

6.65

IP(EA), eV:

 -8.55(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCC2=CSC(=N2)C3=CN=CC=C3)C4=CC(=C(C=C4)O)OC)O

DOS

IR

Vibrations