Geometry & MOs

Info

ID:	177809
PubChem CID:	76233977
Reduced:	SN3O5H17C21 (1)
Stoich.:	AB3C5D17E21 (1)
Weight, g/mol:	431.133734
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	3.89
IP(EA), eV:	-8.76(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[2-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)hydrazinyl]ethyl] 2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C=CC3=NC4=CC=CC=C4S3)OC

DOS

IR

Vibrations