Geometry & MOs

Info

ID:	148121
PubChem CID:	53787783
Reduced:	ClFOC24H24 (1)
Stoich.:	ABCD24E24 (1)
Weight, g/mol:	378.14357
ΔH_f, kcal/mol:	-54.16
Dipole, Da:	1.73
IP(EA), eV:	-9.01(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-phenyl-1,2,4-thiadiazol-5-yl)sulfanyl undecanoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C)(C)CCC2=CC(=CC=C2)OC3=CC=C(C=C3)F)Cl

DOS

IR

Vibrations