Geometry & MOs

Info

ID:	81856
PubChem CID:	49855260
Reduced:	SO2N7C23H33 (1)
Stoich.:	AB2C7D23E33 (1)
Weight, g/mol:	533.257295
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	12.48
IP(EA), eV:	-8.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=CN1C(C)C)C2=NC(=NC=C2)NC3=CC=C(C=C3)S(=O)(=O)NCCCCCCN

DOS

IR

Vibrations