Geometry & MOs

Info

ID:	303605
PubChem CID:	124489953
Reduced:	O5C21H36 (1)
Stoich.:	A5B21C36 (1)
Weight, g/mol:	384.044979
ΔH_f, kcal/mol:	-262.59
Dipole, Da:	7.26
IP(EA), eV:	-10.02(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC[C@](C)(/C=C/[C@H]1[C@@H](C[C@@H]([C@H]1C/C=C\CCCC(=O)O)O)O)O

DOS

IR

Vibrations