Geometry & MOs

Info

ID:	193173
PubChem CID:	78353123
Reduced:	S2N3O3H17C18 (1)
Stoich.:	A2B3C3D17E18 (1)
Weight, g/mol:	278.129337
ΔH_f, kcal/mol:	-17.55
Dipole, Da:	5.44
IP(EA), eV:	-8.93(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(3aH-benzimidazol-3-ium-2-yl)-2-phenylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(=O)NN2C(=O)C3C4=C(CCC4)SC3=NC2=S

DOS

IR

Vibrations