Geometry & MOs

Info

ID:	43523
PubChem CID:	10321420
Reduced:	N4O6H20C23 (1)
Stoich.:	A4B6C20D23 (1)
Weight, g/mol:	448.172225
ΔH_f, kcal/mol:	-115.38
Dipole, Da:	3.76
IP(EA), eV:	-9.17(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-7-(hydroxyamino)-7-oxo-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]heptyl]benzamide

Drug info:

PubChemData

Smile

CC1=C2N(C=C(C1=O)CC3=CC=C(C=C3)C(=O)O)N=C(O2)C(=O)NCC4=CC(=NC=C4)OC

DOS

IR

Vibrations