Geometry & MOs

Info

ID:	158966
PubChem CID:	57244316
Reduced:	O3N5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	278.072513
ΔH_f, kcal/mol:	-33.3
Dipole, Da:	4.51
IP(EA), eV:	-8.72(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(1H-benzimidazol-2-ylsulfanyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)N)C(=O)NCCCOC2=CC=C(C=C2)C3=CC=NNC3=O

DOS

IR

Vibrations