Geometry & MOs

Info

ID:

67951

PubChem CID:

46507496

Reduced:

O2S2F3N3H22C27 (1)

Stoich.:

A2B2C3D3E22F27 (1)

Weight, g/mol:

560.155198

ΔHf, kcal/mol:

-141.73

Dipole, Da:

5.0

IP(EA), eV:

 -8.65(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-methoxy-5-methylphenyl)-2-[[6-oxo-5-[(4-propoxyphenyl)methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl]acetamide

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)CN2C(=O)C3=C(C4=C(S3)N=CC=C4)N=C2SCC5=CC(=CC=C5)C(F)(F)F

DOS

IR

Vibrations