Geometry & MOs

Info

ID:

121501

PubChem CID:

50771028

Reduced:

S2O3N4C24H26 (1)

Stoich.:

A2B3C4D24E26 (1)

Weight, g/mol:

494.108248

ΔHf, kcal/mol:

-60.69

Dipole, Da:

1.37

IP(EA), eV:

 -8.69(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-[[6-oxo-5-(oxolan-2-ylmethyl)-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=C2SCC(=O)NC(C)C

DOS

IR

Vibrations