Geometry & MOs

Info

ID:	317903
PubChem CID:	126647349
Reduced:	SO2N7C15H19 (1)
Stoich.:	AB2C7D15E19 (1)
Weight, g/mol:	382.121195
ΔH_f, kcal/mol:	15.62
Dipole, Da:	11.72
IP(EA), eV:	-8.17(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-1-yl]sulfonylbenzonitrile

Drug info:

PubChemData

Smile

CN1C=C(N=C1)S(=O)(=O)N2CC[C@H](C2)N(C)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations