Geometry & MOs

Info

ID:	227833
PubChem CID:	87562632
Reduced:	S2N4O5C25H30 (1)
Stoich.:	A2B4C5D25E30 (1)
Weight, g/mol:	228.20893
ΔH_f, kcal/mol:	-182.91
Dipole, Da:	8.46
IP(EA), eV:	-9.05(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

undecan-3-yl propanoate

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CC=C3)S(=O)(=O)NC4CCCN(C4)C(=O)OC(C)(C)C

DOS

IR

Vibrations