Geometry & MOs

Info

ID:	147708
PubChem CID:	53787365
Reduced:	ON3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	310.065714
ΔH_f, kcal/mol:	0.73
Dipole, Da:	3.02
IP(EA), eV:	-8.06(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[(2R)-2-(butanoylamino)-2-carboxyethyl]disulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C3N1CC(OC3=CC=C2)CN4CCCNCC4

DOS

IR

Vibrations