Geometry & MOs

Info

ID:	121051
PubChem CID:	50754304
Reduced:	SF3N7H12C21 (1)
Stoich.:	AB3C7D12E21 (1)
Weight, g/mol:	433.155705
ΔH_f, kcal/mol:	34.72
Dipole, Da:	4.27
IP(EA), eV:	-9.19(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl]-N-(2-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(S2)C4=NC(=NN4C=N3)C5=CC(=NN5)C6=CC=C(C=C6)F)C(F)F

DOS

IR

Vibrations