Geometry & MOs

Info

ID:	229053
PubChem CID:	87566849
Reduced:	SN2O7C17H30 (1)
Stoich.:	AB2C7D17E30 (1)
Weight, g/mol:	374.060629
ΔH_f, kcal/mol:	-345.55
Dipole, Da:	3.68
IP(EA), eV:	-9.51(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[2-carboxy-2-[[(1Z)-1-(2-hydroxy-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]amino]ethyl]disulfanyl]propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H]1CCN(C1=O)[C@@H]2CC[C@H](C[C@@H]2OC)OS(=O)(=O)C

DOS

IR

Vibrations