Geometry & MOs

Info

ID:	136856
PubChem CID:	52112912
Reduced:	ClS2N3O3C12H16 (1)
Stoich.:	AB2C3D3E12F16 (1)
Weight, g/mol:	345.112484
ΔH_f, kcal/mol:	-101.18
Dipole, Da:	4.39
IP(EA), eV:	-9.12(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-[amino-(4-fluorophenyl)methylidene]amino] 2-[(4-methoxybenzoyl)amino]acetate

Drug info:

PubChemData

Smile

CCSC1=NC=C(C(=N1)C(=O)N[C@@H](CCSC)C(=O)O)Cl

DOS

IR

Vibrations