Geometry & MOs

Info

ID:	171276
PubChem CID:	75352429
Reduced:	SN2O8H24C27 (1)
Stoich.:	AB2C8D24E27 (1)
Weight, g/mol:	513.114548
ΔH_f, kcal/mol:	-141.3
Dipole, Da:	10.02
IP(EA), eV:	-8.48(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-2-[(4-oxo-6-propyl-1,3-diazinan-2-yl)sulfanyl]acetamide;chloride

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OCCN2C(=O)C(=CC3=CC(=C(C=C3[N+](=O)[O-])OCC4=CC=CC=C4)OC)SC2=O

DOS

IR

Vibrations