Geometry & MOs

Info

ID:	121322
PubChem CID:	50763647
Reduced:	SO4N5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	453.11069
ΔH_f, kcal/mol:	-73.77
Dipole, Da:	7.12
IP(EA), eV:	-9.12(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[2-[[6-(2-acetamidophenyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(=O)C)SC2=NC(=O)C(=NN2)C3=CC=CC=C3NC(=O)C

DOS

IR

Vibrations