Geometry & MOs

Info

ID:	151197
PubChem CID:	53790897
Reduced:	ClO3N5C13H14 (1)
Stoich.:	AB3C5D13E14 (1)
Weight, g/mol:	381.143704
ΔH_f, kcal/mol:	-64.38
Dipole, Da:	2.79
IP(EA), eV:	-8.97(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetamidophenyl) 2-(ethoxycarbonylamino)benzimidazole-1-carboximidate

Drug info:

PubChemData

Smile

CN(C(=O)C1=CC2=C(C=CC(=C2N1)OCC(=O)N)Cl)C(=N)N

DOS

IR

Vibrations