Geometry & MOs

Info

ID:	81855
PubChem CID:	49855259
Reduced:	F2N2O2H16C21 (1)
Stoich.:	A2B2C2D16E21 (1)
Weight, g/mol:	471.241645
ΔH_f, kcal/mol:	-93.47
Dipole, Da:	2.7
IP(EA), eV:	-8.45(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-aminohexyl)-4-[[4-(2-methyl-1-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)O)NC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations