Geometry & MOs

Info

ID:	121324
PubChem CID:	50763697
Reduced:	SN5O5C24H25 (1)
Stoich.:	AB5C5D24E25 (1)
Weight, g/mol:	491.081888
ΔH_f, kcal/mol:	-106.3
Dipole, Da:	7.36
IP(EA), eV:	-8.53(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-6-yl]phenyl]benzamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NC(=O)C(=NN3)C4=CC=CC=C4NC(=O)CC

DOS

IR

Vibrations