Geometry & MOs

Info

ID:	434465
PubChem CID:	135175008
Reduced:	NSO7C9H11 (1)
Stoich.:	ABC7D9E11 (1)
Weight, g/mol:	167.094629
ΔH_f, kcal/mol:	-233.09
Dipole, Da:	1.08
IP(EA), eV:	-10.0(-2.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z)-5-imino-4-methyl-2-methylidenehex-3-enoate

Drug info:

PubChemData

Smile

CC(=O)SCC(C(CC(=O)N=O)C(=O)O)C(=O)O

DOS

IR

Vibrations