Geometry & MOs

Info

ID:	302078
PubChem CID:	124349224
Reduced:	N3O6C20H27 (1)
Stoich.:	A3B6C20D27 (1)
Weight, g/mol:	454.119858
ΔH_f, kcal/mol:	-248.8
Dipole, Da:	4.25
IP(EA), eV:	-9.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5R,6R)-3,3-dimethyl-7-oxo-6-[[(2S)-3-oxo-3-phenoxy-2-phenylpropanoyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@H](C)C(=O)N2[C@H](CN(C2=O)C)C(=O)O

DOS

IR

Vibrations