Geometry & MOs

Info

ID:	136724
PubChem CID:	52090026
Reduced:	Cl2N3O3H15C21 (1)
Stoich.:	A2B3C3D15E21 (1)
Weight, g/mol:	400.039689
ΔH_f, kcal/mol:	-50.12
Dipole, Da:	6.8
IP(EA), eV:	-8.93(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-6-methyl-4-oxo-N-(1,3-thiazol-2-yl)furo[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(O1)N=CN(C2=O)CC3=CC=C(C=C3)Cl)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations