Geometry & MOs

Info

ID:	81857
PubChem CID:	49855261
Reduced:	SO2N7C28H35 (1)
Stoich.:	AB2C7D28E35 (1)
Weight, g/mol:	499.272945
ΔH_f, kcal/mol:	15.53
Dipole, Da:	11.44
IP(EA), eV:	-8.91(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-aminohexyl)-4-[[4-[1,2-di(propan-2-yl)imidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(N=C1C2=CC=CC=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)S(=O)(=O)NCCCCCCN

DOS

IR

Vibrations