Geometry & MOs

Info

ID:	335689
PubChem CID:	127254551
Reduced:	ClO3N4C26H29 (1)
Stoich.:	AB3C4D26E29 (1)
Weight, g/mol:	422.152495
ΔH_f, kcal/mol:	-99.11
Dipole, Da:	7.96
IP(EA), eV:	-8.84(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCCCCC3=NC4=C(N3C)C=CC(=C4)Cl)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations