Geometry & MOs

Info

ID:	180179
PubChem CID:	76590973
Reduced:	ON10C24H24 (1)
Stoich.:	AB10C24D24 (1)
Weight, g/mol:	489.145845
ΔH_f, kcal/mol:	156.52
Dipole, Da:	8.2
IP(EA), eV:	-8.7(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-N-[(2-oxodiazinan-2-ium-4-yl)methyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)C#N

DOS

IR

Vibrations