Geometry & MOs

Info

ID:	150240
PubChem CID:	53789927
Reduced:	NO2H11C12 (1)
Stoich.:	AB2C11D12 (1)
Weight, g/mol:	311.060963
ΔH_f, kcal/mol:	-34.95
Dipole, Da:	5.76
IP(EA), eV:	-8.88(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=O)C2=CC=CC=C21)NC=O

DOS

IR

Vibrations