Geometry & MOs

Info

ID:

176642

PubChem CID:

76078674

Reduced:

N5O7C43H55 (1)

Stoich.:

A5B7C43D55 (1)

Weight, g/mol:

802.182594

ΔHf, kcal/mol:

-276.63

Dipole, Da:

11.86

IP(EA), eV:

 -9.17(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3,3-dimethyl-4,4,7-trioxo-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl)oxymethoxycarbonyloxymethyl 3,3-dimethyl-7-oxo-6-[[2-phenyl-2-(phenylmethoxycarbonylamino)acetyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CCC(C)C(CO)NC(=O)CC(C(CC(C)C)NC(=O)C(CC1=CN=CC=C1)NC(=O)C(CC2=CC=CC3=CC=CC=C32)NC(=O)OCC4=CC=CC=C4)O

DOS

IR

Vibrations