Geometry & MOs

Info

ID:	191135
PubChem CID:	78109359
Reduced:	SO2N4C16H18 (1)
Stoich.:	AB2C4D16E18 (1)
Weight, g/mol:	417.95989
ΔH_f, kcal/mol:	12.88
Dipole, Da:	6.01
IP(EA), eV:	-8.47(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[5-bromo-2-(3,5-dichloroanilino)pyrimidin-4-yl]amino]oxolan-3-ol

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=NNC(=S)N)C2=CC(=C(C=C2)OC)OC

DOS

IR

Vibrations