Geometry & MOs

Info

ID:	356990
PubChem CID:	127293056
Reduced:	SO2N3C19H33 (1)
Stoich.:	AB2C3D19E33 (1)
Weight, g/mol:	385.193632
ΔH_f, kcal/mol:	-125.42
Dipole, Da:	3.84
IP(EA), eV:	-8.85(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-1-thieno[2,3-d]pyrimidin-4-ylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)N1CSCC1C(=O)NC2CCN(C2)C3CCCC3

DOS

IR

Vibrations