Geometry & MOs

Info

ID:	237272
PubChem CID:	92718071
Reduced:	ClN2O4H19C24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	417.074304
ΔH_f, kcal/mol:	-58.39
Dipole, Da:	6.19
IP(EA), eV:	-9.6(-0.77)
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-nitrobenzoyl)amino]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H](C2=CC=C(C=C2)Cl)NC(=O)COC(=O)COC3=CC=CC=C3C#N

DOS

IR

Vibrations