Geometry & MOs

Info

ID:	390077
PubChem CID:	134996956
Reduced:	SN4H14C18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	718.317371
ΔH_f, kcal/mol:	147.45
Dipole, Da:	2.98
IP(EA), eV:	-8.98(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ditert-butyl 2-[4-[benzyl(methyl)amino]-6-[1,3-bis[(2-methylpropan-2-yl)oxy]-2-nitro-1,3-dioxopropan-2-yl]-1,3,5-triazin-2-yl]-2-nitropropanedioate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=NC(=C(N=N2)C3=CC=CC=C3)C#N

DOS

IR

Vibrations