Geometry & MOs

Info

ID:	175444
PubChem CID:	75906525
Reduced:	SN2O4C26H36 (1)
Stoich.:	AB2C4D26E36 (1)
Weight, g/mol:	345.128883
ΔH_f, kcal/mol:	-187.5
Dipole, Da:	7.89
IP(EA), eV:	-9.36(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-benzimidazol-2-yl)-2-(2,4-difluorophenoxy)-3-methylbutanamide

Drug info:

PubChemData

Smile

C1CC(N(C1)C(=O)C23CC4CC(C2)CC(C4)C3)C(=O)NCCCS(=O)(=O)CC5=CC=CC=C5

DOS

IR

Vibrations