Geometry & MOs

Info

ID:	243914
PubChem CID:	99300596
Reduced:	ClOS2N4H15C20 (1)
Stoich.:	ABC2D4E15F20 (1)
Weight, g/mol:	472.198966
ΔH_f, kcal/mol:	83.32
Dipole, Da:	7.06
IP(EA), eV:	-9.53(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-(2-chlorophenyl)-N-(3-methylbutyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2Cl)C(=O)NC3=NN=C(S3)CC4=CC=CC=C4

DOS

IR

Vibrations