Geometry & MOs

Info

ID:

219898

PubChem CID:

85165021

Reduced:

SN5O7C30H39 (1)

Stoich.:

AB5C7D30E39 (1)

Weight, g/mol:

613.212542

ΔHf, kcal/mol:

-275.57

Dipole, Da:

7.39

IP(EA), eV:

 -9.1(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

prop-2-enyl 2-[[2-[[2-[3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]-4-oxo-1-(2-oxo-2-prop-2-enoxyacetyl)azetidin-2-yl]sulfanyl-2-oxoethyl]-methylamino]acetyl]amino]-2-oxoacetate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CC(=O)N)C(=O)O)N(CC(CS)N)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations