Geometry & MOs

Info

ID:	364343
PubChem CID:	127315483
Reduced:	SO2N4C15H20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	373.157246
ΔH_f, kcal/mol:	-48.44
Dipole, Da:	5.8
IP(EA), eV:	-8.73(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)pyrrolidin-2-yl]-thiomorpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC=NC=C1C(=O)N2CCCC2C(=O)N3CCSCC3

DOS

IR

Vibrations