Geometry & MOs

Info

ID:	313314
PubChem CID:	126613705
Reduced:	SN5O5C21H25 (1)
Stoich.:	AB5C5D21E25 (1)
Weight, g/mol:	565.155053
ΔH_f, kcal/mol:	-130.93
Dipole, Da:	8.56
IP(EA), eV:	-8.76(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-[5-(1-chlorocyclopropyl)-6-[(2,4-dimethoxyphenyl)methyl]-7-oxo-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1=NC2=C(C(=O)N1CC3=C(C=C(C=C3)OC)OC)N=C(S2)[C@H]4CCCN4C(=O)O

DOS

IR

Vibrations