Geometry & MOs

Info

ID:	415374
PubChem CID:	135088368
Reduced:	SN3O3C21H23 (1)
Stoich.:	AB3C3D21E23 (1)
Weight, g/mol:	301.120861
ΔH_f, kcal/mol:	-39.73
Dipole, Da:	5.07
IP(EA), eV:	-8.42(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,4S)-1-(4-aminopyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CCOC23CCN(CC3)C4=NC=NC5=C4SC=C5)OC

DOS

IR

Vibrations