Geometry & MOs

Info

ID:	177081
PubChem CID:	76133138
Reduced:	S3N9O9H21C25 (1)
Stoich.:	A3B9C9D21E25 (1)
Weight, g/mol:	225.01295
ΔH_f, kcal/mol:	-144.8
Dipole, Da:	3.95
IP(EA), eV:	-8.93(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-amino-3-sulfanylpropanoyl)oxy-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)(C=S)NC(=O)C(=NOC(C3=CC(=C(C=C3)O)O)C(=O)O)C4=CSC(=N4)N)C(=O)O)C5=NC(=CC(=N5)N)N

DOS

IR

Vibrations