Geometry & MOs

Info

ID:	245580
PubChem CID:	99455177
Reduced:	ClSO3N4H15C19 (1)
Stoich.:	ABC3D4E15F19 (1)
Weight, g/mol:	447.082367
ΔH_f, kcal/mol:	-42.33
Dipole, Da:	4.62
IP(EA), eV:	-8.21(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(furan-2-yl)-4,5-dimethyl-N-[3-(2-sulfanylidene-1H-imidazol-3-yl)phenyl]thieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

C1C(=O)N(C2=C(O1)C=CC(=C2)Cl)CC(=O)NC3=CC(=CC=C3)N4C=CNC4=S

DOS

IR

Vibrations