Geometry & MOs

Info

ID:	223976
PubChem CID:	85336508
Reduced:	O2S2N3C21H21 (1)
Stoich.:	A2B2C3D21E21 (1)
Weight, g/mol:	410.121275
ΔH_f, kcal/mol:	16.12
Dipole, Da:	1.55
IP(EA), eV:	-7.68(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-2-oxo-N-(2-sulfanylidenebenzimidazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2SC1=C3C(=O)N(C(=CC4=CC=CC=[N+]4C)S3)CC=C.[OH-]

DOS

IR

Vibrations