Geometry & MOs

Info

ID:

167405

PubChem CID:

74820173

Reduced:

N2O7C36H46 (1)

Stoich.:

A2B7C36D46 (1)

Weight, g/mol:

409.150036

ΔHf, kcal/mol:

-242.16

Dipole, Da:

4.31

IP(EA), eV:

 -7.95(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9-benzyl-20,20-dimethyl-19-thia-9-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-2(10),3,5,7,13,15,17-heptaen-11-one

Drug info:

PubChemData

Smile

CC1(C2C(=O)C=C3C(O2)(O1)CCC4(C3(C(CC5C4(C6=C(C5)C7=CC=CC=C7N6)C)OCC(=O)NCC8(CCCCC8)O)O)C)C

DOS

IR

Vibrations