Geometry & MOs

Info

ID:	369645
PubChem CID:	127334975
Reduced:	FON5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	363.161663
ΔH_f, kcal/mol:	-10.01
Dipole, Da:	6.96
IP(EA), eV:	-9.42(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[1-(1-propan-2-ylbenzimidazol-2-yl)ethyl]thiane-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=CC(=CC(=C2N=C1C)C(=O)NC3=NNC(=C3)C4CCCC4)F

DOS

IR

Vibrations