Geometry & MOs

Info

ID:	31469
PubChem CID:	855758
Reduced:	SO3N5C14H15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-62.07
Dipole, Da:	7.28
IP(EA), eV:	-8.64(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NNC(=NC1=O)SCC(=O)NC2=CC=CC(=C2)NC(=O)C

DOS

IR

Vibrations