Geometry & MOs

Info

ID:

437891

PubChem CID:

135227230

Reduced:

SN6O6C37H62 (1)

Stoich.:

AB6C6D37E62 (1)

Weight, g/mol:

518.346821

ΔHf, kcal/mol:

-291.74

Dipole, Da:

4.44

IP(EA), eV:

 -9.53(-0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[[(2S)-1-[(5R,8S)-8-carbamoyl-10,10-dimethyl-7-azadispiro[3.0.45.14]decan-7-yl]-1-oxopropan-2-yl]amino]-1-cyclohexyl-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CCC1C[C@@]1(C(=O)NS(=O)(=O)N2CCCC2)NC(=O)[C@@H]3C[C@@]4(CC5(C4(C)C)CCC5)CN3C(=O)[C@H](C(C)(C)C)NC(=O)[C@H](C6CCCCC6)N

DOS

IR

Vibrations