Geometry & MOs

Info

ID:	54378
PubChem CID:	17137107
Reduced:	ClSO2N4C19H19 (1)
Stoich.:	ABC2D4E19F19 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	5.33
Dipole, Da:	5.1
IP(EA), eV:	-9.06(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-ethoxyphenyl)-3-[[5-(methoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

COCC1=NN=C(N1C2=CC=CC=C2)SCCC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations