Geometry & MOs

Info

ID:

309818

PubChem CID:

126560623

Reduced:

O6N10C46H67 (2)

Stoich.:

A6B10C46D67 (2)

Weight, g/mol:

369.175165

ΔHf, kcal/mol:

-454.33

Dipole, Da:

12.12

IP(EA), eV:

 -8.09(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl 4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C[C@](C(=O)N[C@H](C1=NC(=CN1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CNC(=N4)[C@H](C(C)(C)C)NC(=O)[C@@](C)(C(C)(C)C)OC(=O)N(C)CCC(C)(C)[C@](C)(C(=O)N[C@H](C5=NC(=CN5)C6=CN=C(C=N6)C7=NC=C(N=C7)C8=CNC(=N8)[C@H](C(C)(C)C)NC(=O)[C@@](C)(C(C)(C)C)OC(=O)N(C)C)C(C)(C)C)OC(=O)N(C)C)C(C)(C)C)(C(C)(C)C)OC(=O)N(C)C

DOS

IR

Vibrations