Geometry & MOs

Info

ID:	237280
PubChem CID:	92718082
Reduced:	SO4N5C21H23 (1)
Stoich.:	AB4C5D21E23 (1)
Weight, g/mol:	448.021988
ΔH_f, kcal/mol:	-35.43
Dipole, Da:	11.05
IP(EA), eV:	-8.86(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[3-chloro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SCC(=O)N[C@H](C)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations