Geometry & MOs

Info

ID:	150783
PubChem CID:	53790479
Reduced:	N2S2O3C10H14 (1)
Stoich.:	A2B2C3D10E14 (1)
Weight, g/mol:	355.153206
ΔH_f, kcal/mol:	-71.82
Dipole, Da:	5.52
IP(EA), eV:	-9.36(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3-ethoxy-3-oxopropyl)phenyl] 4-(diaminomethylideneamino)benzoate

Drug info:

PubChemData

Smile

CC(C1([C@H]2N(C1=S)C(=CS2)C(=O)O)CCN)O

DOS

IR

Vibrations