Geometry & MOs

Info

ID:	132200
PubChem CID:	51319744
Reduced:	FOSN5H14C15 (1)
Stoich.:	ABCD5E14F15 (1)
Weight, g/mol:	392.045837
ΔH_f, kcal/mol:	8.38
Dipole, Da:	2.47
IP(EA), eV:	-8.95(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-5-nitrophenyl)-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=CC=C1F)SC2=NC=NC3=C2C=NN3C

DOS

IR

Vibrations