Geometry & MOs

Info

ID:	245526
PubChem CID:	99453673
Reduced:	FOSN3C22H24 (1)
Stoich.:	ABCD3E22F24 (1)
Weight, g/mol:	397.162412
ΔH_f, kcal/mol:	-9.86
Dipole, Da:	1.19
IP(EA), eV:	-8.38(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(1R)-1-(2-fluorophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2N=C1SCC(=O)N(C3CC3)[C@@H](C)C4=CC=CC=C4F

DOS

IR

Vibrations