Geometry & MOs

Info

ID:	222673
PubChem CID:	85313080
Reduced:	ClSN2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	293.089937
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	2.56
IP(EA), eV:	-8.75(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methoxy-5-oxo-4-(phenylmethoxycarbonylamino)pent-3-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)N=NC1(CCSC2=CC=CC=C21)Cl

DOS

IR

Vibrations