Geometry & MOs

Info

ID:	130158
PubChem CID:	51075094
Reduced:	NSO2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	333.162332
ΔH_f, kcal/mol:	-28.57
Dipole, Da:	2.65
IP(EA), eV:	-9.04(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-N-methyl-2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(OC=C1)C(=O)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations