Geometry & MOs

Info

ID:	338377
PubChem CID:	127259069
Reduced:	N3O4C6H7 (1)
Stoich.:	A3B4C6D7 (1)
Weight, g/mol:	205.077265
ΔH_f, kcal/mol:	-79.39
Dipole, Da:	4.14
IP(EA), eV:	-10.58(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-amino-2-oxoethyl)sulfanylbutyl acetate

Drug info:

PubChemData

Smile

CC(=O)O/C(=N/OCC(=O)N)/C#N

DOS

IR

Vibrations