Geometry & MOs

Info

ID:	427551
PubChem CID:	135159765
Reduced:	S2F3N4O4H17C19 (1)
Stoich.:	A2B3C4D4E17F19 (1)
Weight, g/mol:	258.115047
ΔH_f, kcal/mol:	-209.74
Dipole, Da:	9.58
IP(EA), eV:	-9.29(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(3S,6S)-3-methyl-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-yl]ethanesulfonamide

Drug info:

PubChemData

Smile

COC(=O)C1=C2CC(CN2C(=NC1C3=C(C(=C(C=C3)F)F)F)C4=NC=CS4)NS(=O)(=O)C

DOS

IR

Vibrations