Geometry & MOs

Info

ID:

148825

PubChem CID:

53788494

Reduced:

N3O8C45H79 (1)

Stoich.:

A3B8C45D79 (1)

Weight, g/mol:

319.135448

ΔHf, kcal/mol:

-455.41

Dipole, Da:

5.05

IP(EA), eV:

 -9.79(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-6-amino-N-benzyl-N,3,3-trimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-6-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCC)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)NC(=O)[C@H](C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations