Geometry & MOs

Info

ID:	440103
PubChem CID:	135230003
Reduced:	FNSO2C9H9 (2)
Stoich.:	ABCD2E9F9 (2)
Weight, g/mol:	546.266714
ΔH_f, kcal/mol:	-180.01
Dipole, Da:	3.83
IP(EA), eV:	-9.1(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[2-[[3-[3-(dipropylamino)phenyl]-7,8-dihydro-6H-pyrazino[2,3-b]pyrazin-5-yl]methyl]-3,6-difluorophenyl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C=CC1=CC=C(C=C1)S(=O)(=O)NCCSC2=CC(=C(C(=C2)F)OCC(=O)N)F

DOS

IR

Vibrations