Geometry & MOs

Info

ID:	167117
PubChem CID:	74783418
Reduced:	ClSO2N5C18H20 (1)
Stoich.:	ABC2D5E18F20 (1)
Weight, g/mol:	473.152161
ΔH_f, kcal/mol:	12.23
Dipole, Da:	7.89
IP(EA), eV:	-9.03(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-N-[2-(4-oxo-6-phenyl-1,3-diazinan-2-yl)-5-thiophen-2-ylpyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CCC1C(=NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)CCCCl)C

DOS

IR

Vibrations