Geometry & MOs

Info

ID:	26488
PubChem CID:	650101
Reduced:	N4H16C17 (1)
Stoich.:	A4B16C17 (1)
Weight, g/mol:	361.099731
ΔH_f, kcal/mol:	91.27
Dipole, Da:	7.09
IP(EA), eV:	-9.15(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2=CC=CC=C2C3=NN=C(N31)C4=CN=CC=C4)C

DOS

IR

Vibrations