Geometry & MOs

Info

ID:	146703
PubChem CID:	53731823
Reduced:	O2N7C28H33 (1)
Stoich.:	A2B7C28D33 (1)
Weight, g/mol:	364.072907
ΔH_f, kcal/mol:	29.87
Dipole, Da:	14.58
IP(EA), eV:	-8.6(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7S)-3-methoxycarbonyl-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CCCC2=CNC3=C2C=C(C=C3)N4C=NN=C4)CCC5=CC(=CC=C5)N6CCOC6=O

DOS

IR

Vibrations