Geometry & MOs

Info

ID:	311468
PubChem CID:	126592934
Reduced:	O2N3C13H21 (1)
Stoich.:	A2B3C13D21 (1)
Weight, g/mol:	171.071785
ΔH_f, kcal/mol:	-77.28
Dipole, Da:	6.71
IP(EA), eV:	-8.75(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(Z)-prop-1-enyl]iminopentanethioic S-acid

Drug info:

PubChemData

Smile

CC=NC(=C(C)C)C(=O)NC(=C)NC(=O)C(C)C

DOS

IR

Vibrations