Geometry & MOs

Info

ID:	268026
PubChem CID:	103596864
Reduced:	S2N3O3H19C24 (1)
Stoich.:	A2B3C3D19E24 (1)
Weight, g/mol:	360.087685
ΔH_f, kcal/mol:	-33.84
Dipole, Da:	5.05
IP(EA), eV:	-9.01(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[4-(6-chloro-1H-benzimidazol-2-yl)-2-ethoxyphenoxy]acetate

Drug info:

PubChemData

Smile

C1C2C3[C@H](C4=C(NC(=O)S4)SC3C1C5C2C(=O)N(C5=O)C6=CC=CC=C6)C7=CN=CC=C7

DOS

IR

Vibrations