Geometry & MOs

Info

ID:	378792
PubChem CID:	134224892
Reduced:	SO2N5C17H19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	375.111359
ΔH_f, kcal/mol:	23.34
Dipole, Da:	2.39
IP(EA), eV:	-8.7(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-methylsulfonyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]azetidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCSN1CC(C1)(CC(=O)O)N2C=C(C=N2)C3=CNC4=C3C=CC=N4

DOS

IR

Vibrations