Geometry & MOs

Info

ID:	131507
PubChem CID:	51215292
Reduced:	F2N3O4C19H25 (1)
Stoich.:	A2B3C4D19E25 (1)
Weight, g/mol:	353.131031
ΔH_f, kcal/mol:	-279.05
Dipole, Da:	4.92
IP(EA), eV:	-9.38(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC(C)CC1(C(=O)N(C(=O)N1)CC(=O)NCCC2=CC=C(C=C2)OC(F)F)C

DOS

IR

Vibrations