Geometry & MOs

Info

ID:	195483
PubChem CID:	78693306
Reduced:	SF2O4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	385.146013
ΔH_f, kcal/mol:	-143.46
Dipole, Da:	7.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.111829
Charge, e:	0

Chem-info

IUPAC name:

6-(3,4-dimethoxyphenyl)-5-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)hex-5-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC(F)F)C)C=CC(=O)C2=CC=C(S2)C(=O)[O-]

DOS

IR

Vibrations