Geometry & MOs

Info

ID:	143639
PubChem CID:	53241277
Reduced:	OSCl2N4C19H20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	401.132861
ΔH_f, kcal/mol:	34.31
Dipole, Da:	5.12
IP(EA), eV:	-8.56(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[butyl-[(2-chlorophenyl)methyl]amino]-3H-1,3,4-thiadiazol-2-ylidene]-2,6-dimethylcyclohexa-2,5-dien-1-one

Drug info:

PubChemData

Smile

CCCCN(CC1=C(C=CC=C1Cl)Cl)C2=NN=C(S2)C3=CN=C(C=C3)OC

DOS

IR

Vibrations