Geometry & MOs

Info

ID:	427522
PubChem CID:	135159529
Reduced:	FSO3N4H19C20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	301.155529
ΔH_f, kcal/mol:	-91.61
Dipole, Da:	3.36
IP(EA), eV:	-9.28(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-diethoxyphosphoryl-3,4-dimethyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C2C(=C3CC(CN3C(=N2)C4=NC=CS4)C(=O)N)C(=O)OC

DOS

IR

Vibrations