Geometry & MOs

Info

ID:	434108
PubChem CID:	135174266
Reduced:	BrClO2N3C22H25 (1)
Stoich.:	ABC2D3E22F25 (1)
Weight, g/mol:	511.261711
ΔH_f, kcal/mol:	-26.53
Dipole, Da:	2.02
IP(EA), eV:	-8.47(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CCOC1=C(C=CC(=C1)CNCC2CCNC2)NC(=O)C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations