Geometry & MOs

Info

ID:	146683
PubChem CID:	53730685
Reduced:	S2N3O9C21H25 (1)
Stoich.:	A2B3C9D21E25 (1)
Weight, g/mol:	397.176342
ΔH_f, kcal/mol:	-253.42
Dipole, Da:	6.68
IP(EA), eV:	-8.92(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(6-carbamimidoyl-1H-benzimidazol-2-yl)-4-methyl-1H-pyrrol-2-yl]-3H-benzimidazole-5-carboximidamide

Drug info:

PubChemData

Smile

C[C@@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])SCCNC(=O)C)OS(=O)(=O)C

DOS

IR

Vibrations