Geometry & MOs

Info

ID:	35392
PubChem CID:	7979799
Reduced:	ClN2O5C21H25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	336.992405
ΔH_f, kcal/mol:	-166.16
Dipole, Da:	3.24
IP(EA), eV:	-8.94(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-chloro-2-nitrophenoxy)methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C(C)C)OCC(=O)NNC(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations