Geometry & MOs

Info

ID:	153061
PubChem CID:	56312186
Reduced:	FSO2N3C21H28 (1)
Stoich.:	ABC2D3E21F28 (1)
Weight, g/mol:	435.254672
ΔH_f, kcal/mol:	-72.76
Dipole, Da:	6.49
IP(EA), eV:	-8.81(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(2-ethylphenyl)-6-[[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1,3,5-triazine-2,4-diamine

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C1=CC=CC(=C1)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations