Geometry & MOs

Info

ID:

185660

PubChem CID:

77327811

Reduced:

FNSO7C29H42 (1)

Stoich.:

ABCD7E29F42 (1)

Weight, g/mol:

566.282586

ΔHf, kcal/mol:

-391.76

Dipole, Da:

5.72

IP(EA), eV:

 -8.43(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)SCC2C(C3C(C3C2(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)O)F

DOS

IR

Vibrations