Geometry & MOs

Info

ID:	77237
PubChem CID:	48425960
Reduced:	FN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-134.9
Dipole, Da:	1.07
IP(EA), eV:	-9.2(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[[2-[[4-(2-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)C1=CC=CC=C1OCC2=CC=C(C=C2)F

DOS

IR

Vibrations