Geometry & MOs

Info

ID:	61311
PubChem CID:	26708116
Reduced:	ClFSN2O5H20C21 (1)
Stoich.:	ABCD2E5F20G21 (1)
Weight, g/mol:	415.046602
ΔH_f, kcal/mol:	-181.12
Dipole, Da:	8.72
IP(EA), eV:	-9.17(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C#N)Cl)OC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations