Geometry & MOs

Info

ID:	1373
PubChem CID:	4258
Reduced:	N2O9C18H18 (1)
Stoich.:	A2B9C18D18 (1)
Weight, g/mol:	406.10123
ΔH_f, kcal/mol:	-315.87
Dipole, Da:	8.53
IP(EA), eV:	-9.53(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[[2-carboxy-2-(4-hydroxyphenyl)acetyl]amino]-7-methoxy-3-methyl-8-oxo-5-oxa-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(N2C(C(C2=O)(NC(=O)C(C3=CC=C(C=C3)O)C(=O)O)OC)OC1)C(=O)O

DOS

IR

Vibrations