Geometry & MOs

Info

ID:	381792
PubChem CID:	134972621
Reduced:	NSO3C11H11 (1)
Stoich.:	ABC3D11E11 (1)
Weight, g/mol:	472.076279
ΔH_f, kcal/mol:	-100.48
Dipole, Da:	6.29
IP(EA), eV:	-8.95(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[[2-(3-carboxybut-3-enoylamino)phenyl]disulfanyl]anilino]-2-methylidene-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1C(C(=O)OC1=O)CSC2=CC=CC=C2N

DOS

IR

Vibrations