Geometry & MOs

Info

ID:	317434
PubChem CID:	126637642
Reduced:	SN3O4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	433.175004
ΔH_f, kcal/mol:	-74.87
Dipole, Da:	4.69
IP(EA), eV:	-8.88(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(3aR,4R,6R,6aR)-2,2-dimethyl-6-(quinolin-8-yloxymethyl)-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]pyrrolo[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(C2=C(C3=C(O1)C=NC=C3)NC(=C2C4=CC(=CC=C4)S(=O)N)C(=O)OC)C

DOS

IR

Vibrations