Geometry & MOs

Info

ID:

390970

PubChem CID:

135001926

Reduced:

OC35H60 (1)

Stoich.:

AB35C60 (1)

Weight, g/mol:

730.26725

ΔHf, kcal/mol:

-138.43

Dipole, Da:

2.08

IP(EA), eV:

 -8.89(0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzhydryl (7R)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-5,8-dioxo-3-[(E)-[2-oxo-1-[(3R)-1-prop-2-enoxycarbonylpyrrolidin-3-yl]pyrrolidin-3-ylidene]methyl]-5lambda4-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CCCCCC(C(=C)C1=CCC2([C@H](C1)CCC3C2CCC4(C3CCC4C(C)CCCC(C)C)C)C)O

DOS

IR

Vibrations