Geometry & MOs

Info

ID:	230134
PubChem CID:	87570280
Reduced:	SN3O4C27H29 (1)
Stoich.:	AB3C4D27E29 (1)
Weight, g/mol:	200.165054
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	4.37
IP(EA), eV:	-8.7(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl-dimethyl-[1-(2-methylprop-2-enoyloxy)propyl]azanium

Drug info:

PubChemData

Smile

CC1(CC2=C(C(=O)C1)SC(=C2C3=CC(=NC=C3)C4=CC(=CC=C4)C(=O)NOC)N5CCOCC5)C

DOS

IR

Vibrations