Geometry & MOs

Info

ID:	177480
PubChem CID:	76192091
Reduced:	N2O5C28H42 (1)
Stoich.:	A2B5C28D42 (1)
Weight, g/mol:	310.152872
ΔH_f, kcal/mol:	-264.06
Dipole, Da:	4.29
IP(EA), eV:	-9.01(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-hydroxyethyl)-3-[(3-hydroxypyrrolidin-1-yl)methyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C=C1O)O)C(=O)N2CCC(CC2)NC(C3CCCCC3)C(=O)OC4CCCC4

DOS

IR

Vibrations