Geometry & MOs

Info

ID:	338070
PubChem CID:	127258701
Reduced:	SN3O3C13H13 (1)
Stoich.:	AB3C3D13E13 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-36.6
Dipole, Da:	2.75
IP(EA), eV:	-9.19(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenyliminoethyl 3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)CC(=O)OC/C=N/NC1=CC=C(C=C1)SC#N

DOS

IR

Vibrations