Geometry & MOs

Info

ID:	343497
PubChem CID:	127266670
Reduced:	N2O2C8H9 (2)
Stoich.:	A2B2C8D9 (2)
Weight, g/mol:	317.094646
ΔH_f, kcal/mol:	-114.97
Dipole, Da:	2.48
IP(EA), eV:	-9.35(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3H-benzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(N=C1C)NCC2=NC=C(C=C2)C(=O)OC

DOS

IR

Vibrations