Geometry & MOs

Info

ID:	177807
PubChem CID:	76233863
Reduced:	FCl2N3O5H20C22 (1)
Stoich.:	AB2C3D5E20F22 (1)
Weight, g/mol:	489.019945
ΔH_f, kcal/mol:	-214.59
Dipole, Da:	3.38
IP(EA), eV:	-9.85(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(difluoromethylsulfanyl)anilino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-4aH-[1]benzofuro[3,2-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(C(N(C1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=CC(=C(C=C3Cl)Cl)F

DOS

IR

Vibrations