Geometry & MOs

Info

ID:	126200
PubChem CID:	50955335
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	307.135448
ΔH_f, kcal/mol:	39.44
Dipole, Da:	3.28
IP(EA), eV:	-8.57(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-1-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CN(CC)C(=O)C2=CC(=CC=C2)NCC3=CC=CS3

DOS

IR

Vibrations