Geometry & MOs

Info

ID:	43390
PubChem CID:	10321219
Reduced:	IN2O2S2H13C15 (1)
Stoich.:	AB2C2D2E13F15 (1)
Weight, g/mol:	443.14197
ΔH_f, kcal/mol:	29.3
Dipole, Da:	3.07
IP(EA), eV:	-9.2(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[1-(2-ethoxy-2-oxoethyl)pyridin-1-ium-2-yl]methyl]piperazine-1-carboxylate;bromide

Drug info:

PubChemData

Smile

C/C(=C\C1=CC=CC=C1)/C=C\2/C(=O)N(C(=S)S2)NC(=O)CI

DOS

IR

Vibrations