Geometry & MOs

Info

ID:

121914

PubChem CID:

50786489

Reduced:

OSN6H22C24 (1)

Stoich.:

ABC6D22E24 (1)

Weight, g/mol:

446.132509

ΔHf, kcal/mol:

99.49

Dipole, Da:

2.76

IP(EA), eV:

 -8.82(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)CSC2=NN=C3N2C=CN4C3=CC(=N4)C5=C(C=CC(=C5)C)C

DOS

IR

Vibrations