Geometry & MOs

Info

ID:	441697
PubChem CID:	135241162
Reduced:	ClOSN7C21H26 (1)
Stoich.:	ABCD7E21F26 (1)
Weight, g/mol:	463.05653
ΔH_f, kcal/mol:	29.97
Dipole, Da:	1.89
IP(EA), eV:	-8.75(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dibenzyl-5-bromo-1-(3-hydroxypropyl)imidazole-4-sulfonamide

Drug info:

PubChemData

Smile

C[C@H]1C(C2(CCN(CC2)C3=NC(=C(N4C3=CN=C4)SC5=C(C(=NC=C5)N)Cl)C)CO1)N

DOS

IR

Vibrations