Geometry & MOs

Info

ID:	341
PubChem CID:	2620
Reduced:	S2N5O5H13C14 (1)
Stoich.:	A2B5C5D13E14 (1)
Weight, g/mol:	395.035811
ΔH_f, kcal/mol:	-51.68
Dipole, Da:	13.21
IP(EA), eV:	-8.42(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C=CC1=C(N2C(C(C2=O)NC(=C(C3=CSC(=N3)N)N=O)O)SC1)C(=O)O

DOS

IR

Vibrations