Geometry & MOs

Info

ID:	357
PubChem CID:	2647
Reduced:	SN3O5C16H19 (1)
Stoich.:	AB3C5D16E19 (1)
Weight, g/mol:	365.104542
ΔH_f, kcal/mol:	-140.26
Dipole, Da:	7.53
IP(EA), eV:	-9.33(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-amino-2-cyclohexa-1,4-dien-1-ylacetyl)amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O

DOS

IR

Vibrations