Geometry & MOs

Info

ID:	314094
PubChem CID:	126620389
Reduced:	N2O5H20C21 (1)
Stoich.:	A2B5C20D21 (1)
Weight, g/mol:	391.086974
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	5.86
IP(EA), eV:	-10.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylpropyl 2-[[5-[1-(3-chlorophenyl)pyrazol-4-yl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)C(C(CC(=O)C1=CC=C(C=C1)C)C2=CC=C(C=C2)C#N)[N+](=O)[O-]

DOS

IR

Vibrations