Geometry & MOs

Info

ID:	361
PubChem CID:	2654
Reduced:	S2N4O6H14C15 (1)
Stoich.:	A2B4C6D14E15 (1)
Weight, g/mol:	410.035477
ΔH_f, kcal/mol:	-171.67
Dipole, Da:	4.85
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-(2-amino-1,3-thiazol-4-yl)-4-carboxybut-2-enoyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O

DOS

IR

Vibrations