Geometry & MOs

Info

ID:	217604
PubChem CID:	85088091
Reduced:	N5O5C17H27 (1)
Stoich.:	A5B5C17D27 (1)
Weight, g/mol:	381.114713
ΔH_f, kcal/mol:	-159.28
Dipole, Da:	2.74
IP(EA), eV:	-9.65(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 7-amino-8-oxo-3-(2-phenyl-1,3-thiazol-4-yl)-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)OCC(COC(C)C)OCN1C=NC2=NC(=NC(=O)C21)NC(=O)C

DOS

IR

Vibrations