Geometry & MOs

Info

ID:	324439
PubChem CID:	126677675
Reduced:	S2N3O6C24H41 (1)
Stoich.:	A2B3C6D24E41 (1)
Weight, g/mol:	132.035734
ΔH_f, kcal/mol:	-301.66
Dipole, Da:	4.79
IP(EA), eV:	-9.4(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(aminomethylidene)-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

CCCC[C@@H]1C(=O)N[C@@H]2CSSCC/C=C/[C@H](CC(=O)N1)OC(C[C@@H]([C@H](NC2=O)C(C)CC)O)O

DOS

IR

Vibrations