Geometry & MOs

Info

ID:	40295
PubChem CID:	8143891
Reduced:	F2O2N3H15C19 (1)
Stoich.:	A2B2C3D15E19 (1)
Weight, g/mol:	409.173194
ΔH_f, kcal/mol:	-74.92
Dipole, Da:	7.94
IP(EA), eV:	-9.13(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-ethyl-5-piperidin-1-ylsulfonyl-3-(pyrrolidin-1-ium-1-ylmethyl)benzimidazole-2-thione

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C=C(C=C1)F)F)NCC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3

DOS

IR

Vibrations