Geometry & MOs

Info

ID:	187745
PubChem CID:	77618598
Reduced:	O3F4N4C15H16 (1)
Stoich.:	A3B4C4D15E16 (1)
Weight, g/mol:	574.090215
ΔH_f, kcal/mol:	-286.68
Dipole, Da:	4.99
IP(EA), eV:	-10.36(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methylphenyl)sulfonylethyl 3-[4-[(5-methoxy-2-sulfanylidene-3,5-dihydrobenzimidazol-4-yl)sulfonyl]phenyl]propanoate

Drug info:

PubChemData

Smile

CC1(OC2C(CC(C2O1)N3C=NC4=C3N=CN=C4F)COC(F)(F)F)C

DOS

IR

Vibrations