Geometry & MOs

Info

ID:	339873
PubChem CID:	127261882
Reduced:	SO4N5C19H27 (1)
Stoich.:	AB4C5D19E27 (1)
Weight, g/mol:	365.9205
ΔH_f, kcal/mol:	-143.06
Dipole, Da:	2.82
IP(EA), eV:	-8.48(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[(2R)-2-carboxy-2-(iodoamino)ethyl]disulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N(C(=O)[C@H](CS)N)N

DOS

IR

Vibrations