Geometry & MOs

Info

ID:	179480
PubChem CID:	76488863
Reduced:	N3O5C31H39 (1)
Stoich.:	A3B5C31D39 (1)
Weight, g/mol:	354.977173
ΔH_f, kcal/mol:	-151.32
Dipole, Da:	1.93
IP(EA), eV:	-9.14(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(dimethoxyphosphinothioylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN(CC(CCC2=CC=CC=C2)O)N(C(=O)OC(C)(C)C)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations