Geometry & MOs

Info

ID:

411200

PubChem CID:

135084013

Reduced:

N4O14C25H42 (1)

Stoich.:

A4B14C25D42 (1)

Weight, g/mol:

394.283158

ΔHf, kcal/mol:

-589.21

Dipole, Da:

9.54

IP(EA), eV:

 -9.53(0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] (NE)-N-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxycarbonyliminocarbamate

Drug info:

PubChemData

Smile

CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]1O[C@@H]2[C@H](O[C@H]([C@@H]([C@@H]2O)NC(=O)C)OC3C(C4C(C3O)N=C(O4)N(C)C)CO)CO)CO)O)O

DOS

IR

Vibrations