Geometry & MOs

Info

ID:	235408
PubChem CID:	92708556
Reduced:	SN4O4H24C26 (1)
Stoich.:	AB4C4D24E26 (1)
Weight, g/mol:	389.104542
ΔH_f, kcal/mol:	-73.28
Dipole, Da:	9.78
IP(EA), eV:	-8.06(-1.63)
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-(2,4-dimethoxyphenyl)acetate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)NC(=O)[C@@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations