Geometry & MOs

Info

ID:	194688
PubChem CID:	78575726
Reduced:	BrNF2O3H14C17 (1)
Stoich.:	ABC2D3E14F17 (1)
Weight, g/mol:	395.141596
ΔH_f, kcal/mol:	-174.17
Dipole, Da:	5.7
IP(EA), eV:	-9.83(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-acetylphenyl)-2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Br)NC(=O)COC(=O)C2=C(C=C(C=C2)F)F

DOS

IR

Vibrations