Geometry & MOs

Info

ID:	188007
PubChem CID:	77653371
Reduced:	O3C6N6H14 (1)
Stoich.:	A3B6C6D14 (1)
Weight, g/mol:	640.145027
ΔH_f, kcal/mol:	-67.97
Dipole, Da:	1.95
IP(EA), eV:	-9.22(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxyphenyl)methyl 8-oxo-7-[(2-phenylsulfanylacetyl)amino]-3-[1-(3-pyridin-2-yl-1,2-oxazol-5-yl)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C1CNC(=O)NC1NC(=O)N.C(=O)(N)N

DOS

IR

Vibrations