Geometry & MOs

Info

ID:	171642
PubChem CID:	75409431
Reduced:	SF2N2O4H20C27 (1)
Stoich.:	AB2C2D4E20F27 (1)
Weight, g/mol:	503.034487
ΔH_f, kcal/mol:	-152.82
Dipole, Da:	2.45
IP(EA), eV:	-9.02(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(E)-[(2E)-4-chloro-3-prop-2-enyl-2-thiophen-2-ylsulfonylimino-1,3-thiazol-5-yl]methylideneamino]-3-cyclohexylthiourea

Drug info:

PubChemData

Smile

C\1CC2=C(C3=CC=CC=C3N=C2/C1=C\C4=CC=CS4)C(=O)OCC(=O)NC5=CC=CC=C5OC(F)F

DOS

IR

Vibrations