Geometry & MOs

Info

ID:	54144
PubChem CID:	14720393
Reduced:	SN5C9H19 (1)
Stoich.:	AB5C9D19 (1)
Weight, g/mol:	363.073636
ΔH_f, kcal/mol:	24.06
Dipole, Da:	1.25
IP(EA), eV:	-8.67(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetylsulfanyl-4-[[2-[[2-(carboxymethylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CCNC1N=C(NC(=N1)SC)NC(C)C

DOS

IR

Vibrations