Geometry & MOs

Info

ID:	237216
PubChem CID:	92717922
Reduced:	N3O5C21H33 (1)
Stoich.:	A3B5C21D33 (1)
Weight, g/mol:	415.120192
ΔH_f, kcal/mol:	-278.84
Dipole, Da:	3.09
IP(EA), eV:	-9.74(0.05)
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 4-(4-ethoxyphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)CNC(=O)C12CC3CC(C1)CC(C3)C2

DOS

IR

Vibrations