Geometry & MOs

Info

ID:	134111
PubChem CID:	51644919
Reduced:	NSO6C23H31 (1)
Stoich.:	ABC6D23E31 (1)
Weight, g/mol:	357.104418
ΔH_f, kcal/mol:	-234.69
Dipole, Da:	6.89
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-fluoro-N-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N([C@H]2CCS(=O)(=O)C2)C3CCCCC3

DOS

IR

Vibrations