Geometry & MOs

Info

ID:	216115
PubChem CID:	85085752
Reduced:	SO2N3C9H15 (1)
Stoich.:	AB2C3D9E15 (1)
Weight, g/mol:	229.204179
ΔH_f, kcal/mol:	-39.47
Dipole, Da:	9.78
IP(EA), eV:	-8.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-2-propyloctanoate

Drug info:

PubChemData

Smile

CN(C)C(CC1C=NC(=S)N1)C(=O)OC

DOS

IR

Vibrations