Geometry & MOs

Info

ID:	337879
PubChem CID:	127258502
Reduced:	SO2N3C7H13 (1)
Stoich.:	AB2C3D7E13 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-63.01
Dipole, Da:	0.57
IP(EA), eV:	-9.21(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(benzamidomethyl)-3-oxobutyl] butanoate

Drug info:

PubChemData

Smile

CC(C)(C)/C(=N\NC(=S)N)/C(=O)O

DOS

IR

Vibrations