Geometry & MOs

Info

ID:	196883
PubChem CID:	78889281
Reduced:	SF2O2N3C17H19 (1)
Stoich.:	AB2C2D3E17F19 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	-153.5
Dipole, Da:	4.22
IP(EA), eV:	-8.88(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,5-dimethoxyphenyl)-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)C(C)C)SC)C(=O)NC2=CC(=CC=C2)OC(F)F

DOS

IR

Vibrations