Geometry & MOs

Info

ID:	233328
PubChem CID:	89650041
Reduced:	FON4H17C25 (1)
Stoich.:	ABC4D17E25 (1)
Weight, g/mol:	300.117546
ΔH_f, kcal/mol:	88.67
Dipole, Da:	5.65
IP(EA), eV:	-9.05(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,5S,6R)-7-chloro-5-methyl-2-azabicyclo[4.1.0]hept-2-en-3-yl]-2-[(4R,5R)-5-ethyl-4-methyl-4,5-dihydro-1,3-thiazol-2-yl]hydrazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NN(C3=C2C(C(=C(O3)N)C#N)C4=CC=C(C=C4)F)C5=CC=CC=C5

DOS

IR

Vibrations