Geometry & MOs

Info

ID:	396866
PubChem CID:	135029362
Reduced:	PO2C23H23 (2)
Stoich.:	AB2C23D23 (2)
Weight, g/mol:	298.077599
ΔH_f, kcal/mol:	-33.5
Dipole, Da:	2.96
IP(EA), eV:	-7.95(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-methylsulfanylbenzimidazole-1-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C[C@H]([C@@H](CC3=CC(=C(C=C32)OC)OC)CP(C4=CC=CC=C4)C5=CC=CC=C5)CP(C6=CC=CC=C6)C7=CC=CC=C7)OC

DOS

IR

Vibrations