Geometry & MOs

Info

ID:	434052
PubChem CID:	135174205
Reduced:	SO2N4C22H30 (1)
Stoich.:	AB2C4D22E30 (1)
Weight, g/mol:	525.277361
ΔH_f, kcal/mol:	-18.71
Dipole, Da:	7.48
IP(EA), eV:	-9.0(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-N-[[3-[2-(1H-imidazol-5-yl)ethoxy]-5-[(pyrrolidin-3-ylmethylamino)methyl]phenyl]methyl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1)CNC(=O)C2=NC(=CS2)C3CC3)CNCC4CCNC4

DOS

IR

Vibrations