Geometry & MOs

Info

ID:	308317
PubChem CID:	125326112
Reduced:	BrSO2N5C15H16 (1)
Stoich.:	ABC2D5E15F16 (1)
Weight, g/mol:	404.159689
ΔH_f, kcal/mol:	2.27
Dipole, Da:	3.34
IP(EA), eV:	-9.27(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2H-indol-3-yl)-N-[5-methyl-2-(4-oxo-6-propyl-5H-pyrimidin-2-yl)pyrazol-3-yl]-2-oxoacetamide

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](N2C(=NC1=O)NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C

DOS

IR

Vibrations