Geometry & MOs

Info

ID:	302745
PubChem CID:	124394245
Reduced:	ClN2O4H19C24 (1)
Stoich.:	AB2C4D19E24 (1)
Weight, g/mol:	521.246061
ΔH_f, kcal/mol:	-39.0
Dipole, Da:	2.72
IP(EA), eV:	-8.86(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-[5-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=CC=CC=C2Cl)/C=C\3/C(=O)NN(C3=O)C4=CC=CC=C4

DOS

IR

Vibrations