Geometry & MOs

Info

ID:

121900

PubChem CID:

50786085

Reduced:

SN3O4H23C24 (1)

Stoich.:

AB3C4D23E24 (1)

Weight, g/mol:

460.148159

ΔHf, kcal/mol:

-24.96

Dipole, Da:

6.73

IP(EA), eV:

 -8.74(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[11-(3,4-dimethylphenyl)-3,4,6,9,10-pentazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,7,10-pentaen-5-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC(=N2)C3=CC=C(O3)CSCC(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations