Geometry & MOs

Info

ID:	77243
PubChem CID:	48425966
Reduced:	SF2N2O2C14H18 (1)
Stoich.:	AB2C2D2E14F18 (1)
Weight, g/mol:	391.167811
ΔH_f, kcal/mol:	-175.57
Dipole, Da:	4.17
IP(EA), eV:	-9.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[[2-[[4-(3-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=C1SC(F)F

DOS

IR

Vibrations