Geometry & MOs

Info

ID:	68915
PubChem CID:	46511864
Reduced:	SN3O3H17C23 (1)
Stoich.:	AB3C3D17E23 (1)
Weight, g/mol:	409.167142
ΔH_f, kcal/mol:	-6.87
Dipole, Da:	3.74
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-methylbutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)CCN3C=NC4=C(C3=O)C=CS4

DOS

IR

Vibrations