Geometry & MOs

Info

ID:	170188
PubChem CID:	75205490
Reduced:	SO2N5C18H27 (1)
Stoich.:	AB2C5D18E27 (1)
Weight, g/mol:	401.108852
ΔH_f, kcal/mol:	-73.06
Dipole, Da:	6.65
IP(EA), eV:	-8.49(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-amino-1-butyl-2,4-dioxo-1,3-diazinan-5-yl)-3-(3-chloro-4-fluorophenyl)-1-methylthiourea

Drug info:

PubChemData

Smile

CCCCN1C(C(C(=O)NC1=O)N(C)C(=S)NC2=C(C=CC=C2C)C)N

DOS

IR

Vibrations