Geometry & MOs

Info

ID:	307101
PubChem CID:	125267585
Reduced:	OF3N5C15H16 (1)
Stoich.:	AB3C5D15E16 (1)
Weight, g/mol:	438.031261
ΔH_f, kcal/mol:	-119.06
Dipole, Da:	3.64
IP(EA), eV:	-8.43(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(2-methylpropyl)-2H-1,3,4-thiadiazol-5-ylidene]-3-[(5E)-4-oxo-2-sulfanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazolidin-3-yl]propanamide

Drug info:

PubChemData

Smile

CN1C[C@H](C2=CC=CC=C21)CCC(=O)NC3=NNC(=N3)C(F)(F)F

DOS

IR

Vibrations