Geometry & MOs

Info

ID:	177808
PubChem CID:	76233864
Reduced:	F2O2S3N5H13C20 (1)
Stoich.:	A2B2C3D5E13F20 (1)
Weight, g/mol:	423.088892
ΔH_f, kcal/mol:	2.7
Dipole, Da:	1.21
IP(EA), eV:	-8.88(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(1,3-benzothiazol-2-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=NC(=NC(=O)C3O2)CSC4=NN=C(S4)NC5=CC=C(C=C5)SC(F)F

DOS

IR

Vibrations