Geometry & MOs

Info

ID:	443187
PubChem CID:	135258036
Reduced:	O3N6C20H24 (1)
Stoich.:	A3B6C20D24 (1)
Weight, g/mol:	502.15222
ΔH_f, kcal/mol:	-64.33
Dipole, Da:	4.4
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dioxaspiro[4.5]decan-8-yl 4-[(Z,4Z)-4-hydrazinylidene-3-nitro-4-pyridin-2-ylbut-2-en-2-yl]benzenesulfonate

Drug info:

PubChemData

Smile

CC(=O)NC(=O)N(C)CC1=CC(=CC=C1)C(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations