Geometry & MOs

Info

ID:

185659

PubChem CID:

77327810

Reduced:

SO4N5C31H39 (1)

Stoich.:

AB4C5D31E39 (1)

Weight, g/mol:

567.266602

ΔHf, kcal/mol:

-97.87

Dipole, Da:

9.04

IP(EA), eV:

 -8.76(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ditert-butyl 3-[(4-fluoro-3-methylphenyl)sulfanylmethyl]-4-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-2,6-dicarboxylate

Drug info:

PubChemData

Smile

COC(=O)C(CCSC)NC(=O)CN(CC1=CC=CC2=CC=CC=C21)C(C3CCCN3)C(=O)CNC4=CC=NC=C4

DOS

IR

Vibrations