Geometry & MOs

Info

ID:	184848
PubChem CID:	77219720
Reduced:	OCl2N4C21H24 (1)
Stoich.:	AB2C4D21E24 (1)
Weight, g/mol:	488.172956
ΔH_f, kcal/mol:	-20.8
Dipole, Da:	3.44
IP(EA), eV:	-8.52(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-tert-butyl-5-(2,4-dioxo-1,3-diazinan-1-yl)-2-methoxyphenyl]-N'-methylsulfonylbenzohydrazide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CC3CNC(NC3CC2=O)NC4=C(C=C(C=C4Cl)N)Cl

DOS

IR

Vibrations