Geometry & MOs

Info

ID:

46853

PubChem CID:

10527892

Reduced:

O3C30H50 (1)

Stoich.:

A3B30C50 (1)

Weight, g/mol:

458.08749

ΔHf, kcal/mol:

-202.15

Dipole, Da:

4.5

IP(EA), eV:

 -9.09(1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(3-bromophenyl)methyl]-N-[(E)-N-[(2-methylpropan-2-yl)oxycarbonyl]-C-methylsulfanylcarbonimidoyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(C[C@@H]([C@@H](C5(C)C)O)O)C)C)[C@@H]2[C@H]1C)C)CO

DOS

IR

Vibrations