Geometry & MOs

Info

ID:

147741

PubChem CID:

53787399

Reduced:

ClO13C29H31 (1)

Stoich.:

AB13C29D31 (1)

Weight, g/mol:

442.171499

ΔHf, kcal/mol:

-488.89

Dipole, Da:

6.26

IP(EA), eV:

 -8.79(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-methyl-10-(thiomorpholin-4-ylmethyl)-9-oxa-1-azatricyclo[6.3.1.04,12]dodeca-2,4(12),5,7-tetraen-3-yl]-naphthalen-1-ylmethanone

Drug info:

PubChemData

Smile

CC1OCC2C(O1)C(C(C(O2)OC3C4COC(=O)C4C(C5=CC6=C(C=C35)OCO6)C7=CC(=C(C(=C7Cl)OC)O)OC)O)O

DOS

IR

Vibrations