Geometry & MOs

Info

ID:	339876
PubChem CID:	127261885
Reduced:	ClNSO5H13C14 (2)
Stoich.:	ABCD5E13F14 (2)
Weight, g/mol:	261.121237
ΔH_f, kcal/mol:	-394.99
Dipole, Da:	9.76
IP(EA), eV:	-9.31(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(1S)-1-carboxy-3-methylbutyl]amino]pentanedioic acid

Drug info:

PubChemData

Smile

CC1CC2=C(C=C(C=C2Cl)C(=O)N([C@@H](CSSCC(C(=O)O)N)C(=O)O)C(=O)C3=CC4=C(CC(OC4=O)C)C(=C3)Cl)C(=O)O1

DOS

IR

Vibrations