Geometry & MOs

Info

ID:

215080

PubChem CID:

85084113

Reduced:

NO15C33H41 (1)

Stoich.:

AB15C33D41 (1)

Weight, g/mol:

691.061663

ΔHf, kcal/mol:

-646.46

Dipole, Da:

6.54

IP(EA), eV:

 -8.48(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[5'-acetyl-12',12'-bis[(4-chlorophenyl)sulfanyl]-7'-methoxy-10',13'-dioxospiro[1,3-dioxolane-2,11'-2,5-diazatetracyclo[7.4.0.02,7.04,6]tridec-1(9)-ene]-8'-yl]methyl carbamate

Drug info:

PubChemData

Smile

CC1C(CC2C1C(OC=C2C(=O)NC3=CC=C(C=C3)OC)OC4C(C(C(C(O4)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations