Geometry & MOs

Info

ID:

193338

PubChem CID:

78377791

Reduced:

NO7H31C32 (1)

Stoich.:

AB7C31D32 (1)

Weight, g/mol:

541.190952

ΔHf, kcal/mol:

-206.27

Dipole, Da:

4.14

IP(EA), eV:

 -9.05(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

2-[4-(furan-2-ylmethyl)-3-imino-12,12-dimethyl-5-oxo-11-oxa-8-thia-4-aza-6-azoniatricyclo[7.4.0.02,7]trideca-1(9),6-dien-6-yl]-N,N-diphenylacetamide

Drug info:

PubChemData

Smile

CCCOC(=O)C1=CC=C(C=C1)OC2=COC3CC(CCC3C2=O)OC(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations