Geometry & MOs

Info

ID:	177159
PubChem CID:	76142412
Reduced:	S3N7O7C19H19 (1)
Stoich.:	A3B7C7D19E19 (1)
Weight, g/mol:	345.135842
ΔH_f, kcal/mol:	-158.74
Dipole, Da:	11.27
IP(EA), eV:	-9.44(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-1-(2-amino-3-sulfanylpropanoyl)-3,8-dioxo-2-propan-2-ylazocane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=C(SC=C3)C(=O)O)C(=O)O)C(CCC(=O)N)SC4=NNN=N4

DOS

IR

Vibrations