Geometry & MOs

Info

ID:	336247
PubChem CID:	127255254
Reduced:	BrFSN3O4H17C27 (1)
Stoich.:	ABCD3E4F17G27 (1)
Weight, g/mol:	404.196074
ΔH_f, kcal/mol:	-11.36
Dipole, Da:	6.27
IP(EA), eV:	-8.98(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-[2-(1,2,4-triazol-4-yl)phenoxy]acetamide

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)N=C4N(C2C5=CC=C(C=C5)F)C(=O)/C(=C/C6=C(C(=CC(=C6)[N+](=O)[O-])Br)O)/S4

DOS

IR

Vibrations