Geometry & MOs

Info

ID:	190337
PubChem CID:	77989204
Reduced:	NOH17C18 (1)
Stoich.:	ABC17D18 (1)
Weight, g/mol:	325.040228
ΔH_f, kcal/mol:	40.99
Dipole, Da:	2.3
IP(EA), eV:	-8.61(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]carbamoylsulfanyl]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C=C2CCN=C2C3=CC=CC=C3

DOS

IR

Vibrations