Geometry & MOs

Info

ID:	218073
PubChem CID:	85088821
Reduced:	OSN3C25H35 (1)
Stoich.:	ABC3D25E35 (1)
Weight, g/mol:	425.062592
ΔH_f, kcal/mol:	-24.86
Dipole, Da:	5.58
IP(EA), eV:	-8.06(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-(5-nitrofuran-2-yl)benzimidazol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Smile

CCN1CCC2(CC3=C(CC2C1)NC(=C3C)C(=S)N(CC)CC)C4=CC(=CC=C4)O

DOS

IR

Vibrations