Geometry & MOs

Info

ID:	228714
PubChem CID:	87565600
Reduced:	S2F3N3O5C18H24 (1)
Stoich.:	A2B3C3D5E18F24 (1)
Weight, g/mol:	369.118084
ΔH_f, kcal/mol:	-357.62
Dipole, Da:	7.56
IP(EA), eV:	-8.87(-0.86)
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

Drug info:

PubChemData

Smile

CC(=O)SC\1CCNC/C1=C\C2=CSC(=N2)NC(=O)OC(C)(C)C.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations