Geometry & MOs

Info

ID:

150741

PubChem CID:

53790437

Reduced:

NO15C45H51 (1)

Stoich.:

AB15C45D51 (1)

Weight, g/mol:

560.139072

ΔHf, kcal/mol:

-494.49

Dipole, Da:

1.56

IP(EA), eV:

 -8.91(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2-nitrophenyl)methyl 2-[(2R,3R)-2-(2-acetyloxyethyl)-3-[(2-nitrophenyl)methoxycarbonylamino]-4-oxoazetidin-1-yl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC1=C2C(C(=O)[C@@]3(C(CC4[C@](C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OCCC#C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)OC(=O)C

DOS

IR

Vibrations