Geometry & MOs

Info

ID:	228713
PubChem CID:	87565599
Reduced:	NH9C10 (2)
Stoich.:	AB9C10 (2)
Weight, g/mol:	483.110948
ΔH_f, kcal/mol:	79.41
Dipole, Da:	1.11
IP(EA), eV:	-7.75(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-[(3E)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazol-4-yl]methylidene]piperidin-4-yl] ethanethioate;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C=C4C=C(C=CC4=CC3=CC2=C1)NCCN

DOS

IR

Vibrations