Geometry & MOs

Info

ID:	43080
PubChem CID:	10318362
Reduced:	O4C25H28 (1)
Stoich.:	A4B25C28 (1)
Weight, g/mol:	392.086449
ΔH_f, kcal/mol:	-118.41
Dipole, Da:	3.14
IP(EA), eV:	-9.37(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-amino-2-[[2-amino-2-(3-carboxyphenyl)ethyl]disulfanyl]ethyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=O)OC[C@@H]1C=C[C@H]2[C@@H]1[C@@H]([C@@H](C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations