Geometry & MOs

Info

ID:	176547
PubChem CID:	76065391
Reduced:	O2N3C7H13 (1)
Stoich.:	A2B3C7D13 (1)
Weight, g/mol:	636.127462
ΔH_f, kcal/mol:	1.29
Dipole, Da:	1.67
IP(EA), eV:	-8.84(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(acetyloxymethyl)-7-[[2-[[2-(4-nitrophenyl)-5-oxo-1H-pyrazole-4-carbonyl]amino]-2-phenylacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1[N+](=O)[O-])CNN2

DOS

IR

Vibrations