Geometry & MOs

Info

ID:

334971

PubChem CID:

127253777

Reduced:

N3O4C26H29 (1)

Stoich.:

A3B4C26D29 (1)

Weight, g/mol:

630.176894

ΔHf, kcal/mol:

-82.38

Dipole, Da:

3.5

IP(EA), eV:

 -8.29(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (6S,7R)-7'-chloro-4',6'-dimethoxy-2,7-dimethyl-3',5-dioxo-4-(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-3-yl)spiro[1,4,7,8-tetrahydroquinoline-6,2'-1-benzofuran]-3-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCCN2C3=C(C4=C(C2=O)C(=C(C=C4)OC)OC)C(=O)C5=CC=CC=C53

DOS

IR

Vibrations