Geometry & MOs

Info

ID:	326813
PubChem CID:	126688250
Reduced:	SN4O6C19H20 (1)
Stoich.:	AB4C6D19E20 (1)
Weight, g/mol:	518.143547
ΔH_f, kcal/mol:	-132.57
Dipole, Da:	2.9
IP(EA), eV:	-9.37(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(difluoromethyl)-N-[1-(1,1-dioxothian-4-yl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCC2=C3C=CN(C3=NC=N2)[C@H]4[C@@H]([C@@]5([C@@H](C5OS(=O)(=O)N)O4)O)O

DOS

IR

Vibrations