Geometry & MOs

Info

ID:	165322
PubChem CID:	74532007
Reduced:	SO2N4H14C15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	355.200825
ΔH_f, kcal/mol:	29.99
Dipole, Da:	5.98
IP(EA), eV:	-9.86(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-3-[3,5-dimethyl-1-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)pyrazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(S1)NC(=O)C2=CC(=O)N=C3C2C=CC=C3

DOS

IR

Vibrations