Geometry & MOs

Info

ID:	306886
PubChem CID:	125264188
Reduced:	SN2O5C14H20 (1)
Stoich.:	AB2C5D14E20 (1)
Weight, g/mol:	349.191403
ΔH_f, kcal/mol:	-181.38
Dipole, Da:	3.83
IP(EA), eV:	-9.48(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-1-(5-fluoropyrimidin-2-yl)-4-(2-morpholin-4-ylethyl)-2,3,3a,6,7,7a-hexahydropyrrolo[3,2-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C(=O)N2C[C@@H]([C@@H]3[C@@H]2CCCO3)NS(=O)(=O)C

DOS

IR

Vibrations